[(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]Methyl Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C16H16FN7O14P2 |
| 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]methyl phosphono hydrogen phosphate |
| Molecular Mass | 611.283 g·mol−1 |
| Heat of Formation | -2235.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.43 ± 1.08 D |
| Volume | 580.5 Å 3 |
| Surface Area | 490.45 Å 2 |
| HOMO Energy | -9.44 ± 0.55 eV |
| LUMO Energy | -1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QGEXFYNRASGSGC-XNIJJKJLSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P |