6-(2,2-Diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-N-[2-[[1-(3H-Pyridin-1-Ium-3-Id-6-Yl)-4-Piperidyl]Carbamoylamino]Ethyl]Purine-1,3,7-Triium-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C40H49N11O6 |
| IUPAC Name | 6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-[2-[[1-(3h-pyridin-1-ium-3-id-6-yl)-4-piperidyl]carbamoylamino]ethyl]purine-1,3,7-triium-2-carboxamide |
| Molecular Mass | 779.887 g·mol−1 |
| Heat of Formation | -515.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.14 ± 1.08 D |
| Volume | 920.93 Å 3 |
| Surface Area | 763.22 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | 2.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GRWOGVRBBNQHRW-HXEFRTELSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |