[[(2R,3S,4R,5R)-5-[4-Amino-5-[2-(4-Azidophenyl)-2-Oxo-Ethyl]Sulfanyl-2-Oxo-Pyrimidin-3-Ium-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H24N6O15P3S+ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-[4-amino-5-[2-[4-[(imino-λ5-azanylidene)amino]phenyl]-2-oxo-ethyl]sulfanyl-2-oxo-1h-pyrimidin-1-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 677.390 g·mol−1 |
| Heat of Formation | -3111.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.09 ± 1.08 D |
| Volume | 670.87 Å 3 |
| Surface Area | 533.28 Å 2 |
| HOMO Energy | -9.17 ± 0.55 eV |
| LUMO Energy | -1.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JSZHPPUMLGPCFY-XKVFNRALSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |