[(2R,3S,5R)-5-(5-Bromo-2,4-Dioxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(2,6-Diaminopurine-1,3,7-Triium-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H25BrN8O13P2++ |
| IUPAC Name | [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2,6-diaminopurine-1,3,7-triium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate |
| Molecular Mass | 715.299 g·mol−1 |
| Heat of Formation | -2670.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.30 ± 1.08 D |
| Volume | 664.59 Å 3 |
| Surface Area | 459.38 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | -0.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CTVIXOMBKYZSKN-LSUSWQKBSA-Q |
| QR Code | Generate QR Code |
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| Elements | C H O N P Br |