[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C21H30N7O17P3 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
| Molecular Mass | 745.421 g·mol−1 |
| Heat of Formation | -3612.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.49 ± 1.08 D |
| Volume | 751.94 Å 3 |
| Surface Area | 598.33 Å 2 |
| HOMO Energy | -8.43 ± 0.55 eV |
| LUMO Energy | -1.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CVFBNPZXHJNEPF-NNYOXOHSSA-O |
| QR Code | Generate QR Code |
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| Elements | P C H O N |