[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[(4S)-3-Carbamoyl-4-(6-Ethyl-3H-Pyridin-1-Ium-3-Ide-4-Carbonyl)-4H-Pyridin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C29H38N8O15P2 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(4s)-3-carbamoyl-4-(6-ethyl-3h-pyridin-1-ium-3-ide-4-carbonyl)-4h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 800.604 g·mol−1 |
| Heat of Formation | -2821.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.57 ± 1.08 D |
| Volume | 832.98 Å 3 |
| Surface Area | 632.29 Å 2 |
| HOMO Energy | -8.50 ± 0.55 eV |
| LUMO Energy | 1.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MJZMYKRJSGCAKS-OYBINNFYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |