[[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[(1R,3S)-3-Carbamoyl-3,6-Dihydro-2H-Pyridin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C21H32N7O17P3 |
| IUPAC Name | [[(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(1r,3s)-3-carbamoyl-3,6-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 747.437 g·mol−1 |
| Heat of Formation | -3747.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.82 ± 1.08 D |
| Volume | 724.72 Å 3 |
| Surface Area | 482.43 Å 2 |
| HOMO Energy | -9.51 ± 0.55 eV |
| LUMO Energy | -1.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SKVYDVXYBUBEAY-ILTSWSAWSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |