2-Amino-9-{5-O-(Hydroxy{[Hydroxy(Phosphonoamino)Phosphoryl]Oxy}Phosphoryl)-3-O-[2-(Methylamino)Benzoyl]-β-D-Erythro-Pentofuranosyl-2-Ulose}-1,9-Dihydro-6H-Purin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C18H22N7O14P3 |
| IUPAC Name | [[[[(2r,3r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-[2-(methylamino)benzoyl]oxy-4-oxo-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid |
| Molecular Mass | 653.327 g·mol−1 |
| Heat of Formation | -2973.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.05 ± 1.08 D |
| Volume | 628.53 Å 3 |
| Surface Area | 466.87 Å 2 |
| HOMO Energy | -8.78 ± 0.55 eV |
| LUMO Energy | -1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RVBPPAHXMWBKDD-CKUKBARFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |