[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-(4-Azidobenzoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C17H22N8O15P3+ |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-(4-azidobenzoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
| Molecular Mass | 671.322 g·mol−1 |
| Heat of Formation | -2860.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.05 ± 1.08 D |
| Volume | 647.03 Å 3 |
| Surface Area | 489.12 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | -2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BVZDMVMDDPABLC-JOGDPCBZSA-P |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |