[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H17FN7O17P3 |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-(5-fluoro-2,4-dinitro-phenoxy)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 691.263 g·mol−1 |
| Heat of Formation | -3146.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.43 ± 1.08 D |
| Volume | 639.53 Å 3 |
| Surface Area | 487.24 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | -2.07 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BWPRSBTVIZBZPL-XNIJJKJLSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P |