GDP
Simulation outputs:
|
Parameter | Value | |||||
| Field strength | 400.13(MHz) | ||||||
| RMSD of the fit | 0.03181 | ||||||
| Temperature | 298 K | ||||||
| pH | 7.4 | ||||||
| InChI | InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||||||
| Note 1 | lr H-C HSQC | ||||||
| Additional coupling constants |
|
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| GDP | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 31 | 35 | 34 | 33 | 32 | 29 | 30 | |
|---|---|---|---|---|---|---|---|
| 31 | 8.105 | 0 | 0 | 0 | 0 | 0 | 0 |
| 35 | 0 | 5.901 | 5.238 | 0 | 0 | 0 | 0 |
| 34 | 0 | 0 | 4.681 | 4.505 | 0 | 0 | 0 |
| 33 | 0 | 0 | 0 | 4.588 | 4.196 | 0 | 0 |
| 32 | 0 | 0 | 0 | 0 | 4.336 | 3.286 | 6.517 |
| 29 | 0 | 0 | 0 | 0 | 0 | 4.227 | -10.886 |
| 30 | 0 | 0 | 0 | 0 | 0 | 0 | 4.227 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.17589 | 0.00881725 | standard |
| 4.20965 | 0.312662 | standard |
| 4.21355 | 0.345955 | standard |
| 4.22677 | 0.546945 | standard |
| 4.23278 | 0.45517 | standard |
| 4.23995 | 0.392517 | standard |
| 4.24464 | 0.344447 | standard |
| 4.25986 | 0.0445801 | standard |
| 4.28043 | 0.0126381 | standard |
| 4.31912 | 0.167618 | standard |
| 4.33032 | 0.350819 | standard |
| 4.34178 | 0.334687 | standard |
| 4.35329 | 0.137472 | standard |
| 4.5774 | 0.265444 | standard |
| 4.58807 | 0.49943 | standard |
| 4.59859 | 0.303963 | standard |
| 4.66922 | 0.306929 | standard |
| 4.68137 | 0.474944 | standard |
| 4.69321 | 0.252032 | standard |
| 5.89435 | 0.533073 | standard |
| 5.90727 | 0.533187 | standard |
| 8.1052 | 1.0 | standard |
| 4.1744 | 0.507497 | standard |
| 4.31688 | 0.755023 | standard |
| 4.59822 | 0.760135 | standard |
| 4.69275 | 0.493547 | standard |
| 5.8482 | 0.446285 | standard |
| 5.95817 | 0.387447 | standard |
| 8.1052 | 1.0 | standard |
| 4.25571 | 0.655401 | standard |
| 4.30018 | 0.724223 | standard |
| 4.46194 | 0.146799 | standard |
| 4.5275 | 0.204053 | standard |
| 4.62178 | 0.683896 | standard |
| 4.69417 | 0.444386 | standard |
| 4.76535 | 0.176801 | standard |
| 5.86403 | 0.4872 | standard |
| 5.9403 | 0.44047 | standard |
| 8.1052 | 1.0 | standard |
| 4.14464 | 0.241315 | standard |
| 4.21649 | 0.486248 | standard |
| 4.2483 | 0.604313 | standard |
| 4.27654 | 0.614736 | standard |
| 4.30671 | 0.658685 | standard |
| 4.43013 | 0.116733 | standard |
| 4.53736 | 0.200482 | standard |
| 4.59162 | 0.465799 | standard |
| 4.63019 | 0.661743 | standard |
| 4.68999 | 0.430276 | standard |
| 4.74493 | 0.185783 | standard |
| 5.87202 | 0.514362 | standard |
| 5.9312 | 0.476203 | standard |
| 8.1052 | 1.0 | standard |
| 4.15284 | 0.253466 | standard |
| 4.22024 | 0.489836 | standard |
| 4.24751 | 0.572559 | standard |
| 4.27708 | 0.59186 | standard |
| 4.30356 | 0.600588 | standard |
| 4.41937 | 0.118192 | standard |
| 4.54288 | 0.202898 | standard |
| 4.59057 | 0.444008 | standard |
| 4.63217 | 0.611899 | standard |
| 4.68848 | 0.429756 | standard |
| 4.73773 | 0.188925 | standard |
| 5.87471 | 0.522344 | standard |
| 5.92816 | 0.48774 | standard |
| 8.1052 | 1.0 | standard |
| 4.16031 | 0.270005 | standard |
| 4.24404 | 0.552702 | standard |
| 4.27841 | 0.564542 | standard |
| 4.34227 | 0.291185 | standard |
| 4.41007 | 0.123197 | standard |
| 4.54754 | 0.201749 | standard |
| 4.58981 | 0.423772 | standard |
| 4.63463 | 0.526814 | standard |
| 4.68727 | 0.429874 | standard |
| 4.73191 | 0.193548 | standard |
| 5.87696 | 0.527545 | standard |
| 5.92571 | 0.495717 | standard |
| 8.1052 | 1.0 | standard |
| 4.12461 | 0.00913212 | standard |
| 4.19865 | 0.308036 | standard |
| 4.22506 | 0.517169 | standard |
| 4.23736 | 0.464588 | standard |
| 4.25139 | 0.405364 | standard |
| 4.26114 | 0.354092 | standard |
| 4.30459 | 0.206865 | standard |
| 4.32541 | 0.31467 | standard |
| 4.34917 | 0.285251 | standard |
| 4.37176 | 0.121296 | standard |
| 4.40193 | 0.0146871 | standard |
| 4.56656 | 0.238293 | standard |
| 4.58777 | 0.464402 | standard |
| 4.60814 | 0.316965 | standard |
| 4.65824 | 0.326357 | standard |
| 4.68266 | 0.449432 | standard |
| 4.7059 | 0.220802 | standard |
| 5.88813 | 0.529434 | standard |
| 5.91369 | 0.524873 | standard |
| 8.1052 | 1.0 | standard |
| 4.15873 | 0.00890213 | standard |
| 4.20872 | 0.332333 | standard |
| 4.22637 | 0.539153 | standard |
| 4.23443 | 0.458458 | standard |
| 4.24397 | 0.39418 | standard |
| 4.25027 | 0.344102 | standard |
| 4.27152 | 0.0495363 | standard |
| 4.31408 | 0.171667 | standard |
| 4.32869 | 0.338114 | standard |
| 4.34413 | 0.317322 | standard |
| 4.35939 | 0.131602 | standard |
| 4.57377 | 0.255561 | standard |
| 4.58796 | 0.486964 | standard |
| 4.6019 | 0.306476 | standard |
| 4.66544 | 0.312821 | standard |
| 4.68169 | 0.465243 | standard |
| 4.69735 | 0.24054 | standard |
| 5.89228 | 0.533347 | standard |
| 5.90946 | 0.533218 | standard |
| 8.1052 | 1.0 | standard |
| 4.17589 | 0.00882113 | standard |
| 4.20965 | 0.31267 | standard |
| 4.21355 | 0.345997 | standard |
| 4.22677 | 0.546786 | standard |
| 4.23278 | 0.455196 | standard |
| 4.23995 | 0.392566 | standard |
| 4.24464 | 0.344522 | standard |
| 4.25985 | 0.044602 | standard |
| 4.28043 | 0.0126351 | standard |
| 4.31912 | 0.167645 | standard |
| 4.33032 | 0.350848 | standard |
| 4.34178 | 0.334712 | standard |
| 4.35329 | 0.137487 | standard |
| 4.5774 | 0.265456 | standard |
| 4.58807 | 0.499399 | standard |
| 4.59861 | 0.303881 | standard |
| 4.66922 | 0.30696 | standard |
| 4.68137 | 0.474973 | standard |
| 4.69321 | 0.252047 | standard |
| 5.89435 | 0.533094 | standard |
| 5.90727 | 0.533208 | standard |
| 8.1052 | 1.0 | standard |
| 4.18614 | 0.00876904 | standard |
| 4.21295 | 0.318535 | standard |
| 4.21633 | 0.353438 | standard |
| 4.22696 | 0.555968 | standard |
| 4.23171 | 0.453812 | standard |
| 4.23754 | 0.389925 | standard |
| 4.24127 | 0.344434 | standard |
| 4.26843 | 0.0103442 | standard |
| 4.32227 | 0.165727 | standard |
| 4.33132 | 0.359203 | standard |
| 4.34045 | 0.345607 | standard |
| 4.34968 | 0.141974 | standard |
| 4.57958 | 0.271998 | standard |
| 4.58813 | 0.506759 | standard |
| 4.59658 | 0.302869 | standard |
| 4.67148 | 0.303723 | standard |
| 4.6812 | 0.480954 | standard |
| 4.69067 | 0.259803 | standard |
| 5.89562 | 0.532866 | standard |
| 5.906 | 0.533031 | standard |
| 8.1052 | 1.0 | standard |
| 4.19295 | 0.00872525 | standard |
| 4.21532 | 0.322988 | standard |
| 4.21819 | 0.359047 | standard |
| 4.22705 | 0.559371 | standard |
| 4.23099 | 0.45227 | standard |
| 4.23587 | 0.389714 | standard |
| 4.23896 | 0.344737 | standard |
| 4.26143 | 0.009629 | standard |
| 4.32441 | 0.165598 | standard |
| 4.33198 | 0.369318 | standard |
| 4.33957 | 0.349759 | standard |
| 4.34724 | 0.145208 | standard |
| 4.58105 | 0.274884 | standard |
| 4.58815 | 0.512933 | standard |
| 4.59522 | 0.304716 | standard |
| 4.67305 | 0.301958 | standard |
| 4.68113 | 0.483376 | standard |
| 4.68901 | 0.265273 | standard |
| 5.89646 | 0.532964 | standard |
| 5.90511 | 0.532966 | standard |
| 8.1052 | 1.0 | standard |
| 4.19787 | 0.00870903 | standard |
| 4.21704 | 0.326084 | standard |
| 4.21953 | 0.362743 | standard |
| 4.22712 | 0.561886 | standard |
| 4.23049 | 0.451027 | standard |
| 4.23467 | 0.389396 | standard |
| 4.23733 | 0.344646 | standard |
| 4.25655 | 0.00930012 | standard |
| 4.32597 | 0.165511 | standard |
| 4.33247 | 0.37373 | standard |
| 4.33899 | 0.352963 | standard |
| 4.34558 | 0.147689 | standard |
| 4.58203 | 0.277224 | standard |
| 4.58816 | 0.516987 | standard |
| 4.59421 | 0.305298 | standard |
| 4.67413 | 0.300439 | standard |
| 4.68106 | 0.487366 | standard |
| 4.68784 | 0.268945 | standard |
| 5.89705 | 0.532492 | standard |
| 5.90452 | 0.532494 | standard |
| 8.1052 | 1.0 | standard |
| 4.19981 | 0.00872112 | standard |
| 4.2177 | 0.327288 | standard |
| 4.22004 | 0.364245 | standard |
| 4.22418 | 0.413911 | standard |
| 4.22711 | 0.562725 | standard |
| 4.23026 | 0.450729 | standard |
| 4.23417 | 0.389308 | standard |
| 4.23663 | 0.34517 | standard |
| 4.25454 | 0.0092105 | standard |
| 4.32655 | 0.165232 | standard |
| 4.33266 | 0.373261 | standard |
| 4.33873 | 0.355893 | standard |
| 4.3449 | 0.148806 | standard |
| 4.58251 | 0.279387 | standard |
| 4.58817 | 0.519588 | standard |
| 4.5938 | 0.305665 | standard |
| 4.67462 | 0.300558 | standard |
| 4.68103 | 0.487425 | standard |
| 4.68745 | 0.269535 | standard |
| 5.89735 | 0.533316 | standard |
| 5.90423 | 0.533317 | standard |
| 8.1052 | 1.0 | standard |
| 4.20159 | 0.00876433 | standard |
| 4.2183 | 0.328467 | standard |
| 4.22051 | 0.366283 | standard |
| 4.22433 | 0.415317 | standard |
| 4.22713 | 0.562541 | standard |
| 4.23008 | 0.45047 | standard |
| 4.23373 | 0.389612 | standard |
| 4.23604 | 0.345286 | standard |
| 4.25285 | 0.00913588 | standard |
| 4.32714 | 0.165682 | standard |
| 4.33283 | 0.374468 | standard |
| 4.33854 | 0.360529 | standard |
| 4.34431 | 0.148509 | standard |
| 4.58281 | 0.279065 | standard |
| 4.58817 | 0.519235 | standard |
| 4.59351 | 0.304993 | standard |
| 4.67502 | 0.300162 | standard |
| 4.68103 | 0.48479 | standard |
| 4.68696 | 0.272117 | standard |
| 5.89754 | 0.532959 | standard |
| 5.90403 | 0.532961 | standard |
| 8.1052 | 1.0 | standard |
| 4.20443 | 0.00871833 | standard |
| 4.21935 | 0.330561 | standard |
| 4.2213 | 0.368784 | standard |
| 4.22466 | 0.418066 | standard |
| 4.22717 | 0.562205 | standard |
| 4.22981 | 0.449254 | standard |
| 4.23304 | 0.390126 | standard |
| 4.23509 | 0.345522 | standard |
| 4.25003 | 0.00903 | standard |
| 4.32801 | 0.168078 | standard |
| 4.33313 | 0.37917 | standard |
| 4.33819 | 0.367264 | standard |
| 4.34334 | 0.150234 | standard |
| 4.58346 | 0.283384 | standard |
| 4.58817 | 0.523426 | standard |
| 4.59293 | 0.308423 | standard |
| 4.6756 | 0.298361 | standard |
| 4.68102 | 0.492684 | standard |
| 4.68627 | 0.274495 | standard |
| 5.89794 | 0.533675 | standard |
| 5.90364 | 0.533676 | standard |
| 8.1052 | 1.0 | standard |
| 4.20563 | 0.00871345 | standard |
| 4.21973 | 0.330642 | standard |
| 4.22159 | 0.367738 | standard |
| 4.22493 | 0.419905 | standard |
| 4.22719 | 0.568878 | standard |
| 4.22964 | 0.448842 | standard |
| 4.23279 | 0.388096 | standard |
| 4.23472 | 0.345108 | standard |
| 4.24879 | 0.00902775 | standard |
| 4.3284 | 0.167715 | standard |
| 4.33325 | 0.382751 | standard |
| 4.33804 | 0.367981 | standard |
| 4.34289 | 0.151035 | standard |
| 4.58368 | 0.283377 | standard |
| 4.58822 | 0.527425 | standard |
| 4.59263 | 0.309796 | standard |
| 4.6759 | 0.298216 | standard |
| 4.68102 | 0.490081 | standard |
| 4.68603 | 0.274792 | standard |
| 5.89803 | 0.532492 | standard |
| 5.90354 | 0.532494 | standard |
| 8.1052 | 1.0 | standard |
| 4.20668 | 0.00870301 | standard |
| 4.22009 | 0.331714 | standard |
| 4.22186 | 0.369374 | standard |
| 4.22497 | 0.420247 | standard |
| 4.22719 | 0.56832 | standard |
| 4.22951 | 0.448995 | standard |
| 4.23249 | 0.388421 | standard |
| 4.23431 | 0.345602 | standard |
| 4.24772 | 0.00897925 | standard |
| 4.3288 | 0.168405 | standard |
| 4.33335 | 0.381984 | standard |
| 4.33787 | 0.370896 | standard |
| 4.34256 | 0.151063 | standard |
| 4.58389 | 0.283734 | standard |
| 4.58821 | 0.527146 | standard |
| 4.59243 | 0.308925 | standard |
| 4.67619 | 0.29922 | standard |
| 4.68096 | 0.495766 | standard |
| 4.68579 | 0.275017 | standard |
| 5.89823 | 0.533917 | standard |
| 5.90334 | 0.533919 | standard |
| 8.1052 | 1.0 | standard |
| 4.20862 | 0.0087625 | standard |
| 4.22081 | 0.33321 | standard |
| 4.22237 | 0.370329 | standard |
| 4.22515 | 0.422791 | standard |
| 4.22718 | 0.565773 | standard |
| 4.22932 | 0.446713 | standard |
| 4.232 | 0.389431 | standard |
| 4.23366 | 0.345831 | standard |
| 4.24587 | 0.00892605 | standard |
| 4.32938 | 0.167959 | standard |
| 4.33356 | 0.37907 | standard |
| 4.33767 | 0.369384 | standard |
| 4.34187 | 0.153287 | standard |
| 4.58433 | 0.286252 | standard |
| 4.58821 | 0.527717 | standard |
| 4.59204 | 0.308681 | standard |
| 4.67658 | 0.298176 | standard |
| 4.68096 | 0.491357 | standard |
| 4.68529 | 0.277523 | standard |
| 5.89843 | 0.532957 | standard |
| 5.90315 | 0.532958 | standard |
| 8.1052 | 1.0 | standard |
| 4.21147 | 0.00875568 | standard |
| 4.22178 | 0.334982 | standard |
| 4.22312 | 0.37265 | standard |
| 4.22548 | 0.426114 | standard |
| 4.2272 | 0.569527 | standard |
| 4.229 | 0.446791 | standard |
| 4.23129 | 0.388528 | standard |
| 4.2327 | 0.345599 | standard |
| 4.24308 | 0.00878801 | standard |
| 4.33031 | 0.167291 | standard |
| 4.33384 | 0.384162 | standard |
| 4.33734 | 0.37578 | standard |
| 4.34089 | 0.154923 | standard |
| 4.58495 | 0.289775 | standard |
| 4.58821 | 0.527137 | standard |
| 4.59146 | 0.307884 | standard |
| 4.67727 | 0.297685 | standard |
| 4.68095 | 0.502768 | standard |
| 4.68461 | 0.280068 | standard |
| 5.89882 | 0.533917 | standard |
| 5.90275 | 0.533917 | standard |
| 8.1052 | 1.0 | standard |