[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R)-4-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H26N8O13P2+ |
| IUPAC Name | [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
| Molecular Mass | 636.403 g·mol−1 |
| Heat of Formation | -2585.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.97 ± 1.08 D |
| Volume | 638.02 Å 3 |
| Surface Area | 464.91 Å 2 |
| HOMO Energy | -9.47 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GTIZDXUBQJJEBN-AONHZOMNSA-P |
| QR Code | Generate QR Code |
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| Elements | P C H O N |