[[(2R,3R,4S,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [Hydroxy-[(1R)-1-(2-Nitrophenyl)Ethoxy]Phosphoryl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C18H25N6O16P3+ |
| IUPAC Name | [[(2r,3r,4s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate |
| Molecular Mass | 674.343 g·mol−1 |
| Heat of Formation | -3072.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 20.29 ± 1.08 D |
| Volume | 666.76 Å 3 |
| Surface Area | 451.83 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -2.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IYVNFNKVRHCACH-RQFPSBRRSA-P |
| 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 |