9-(5-O-{Hydroxy[(Hydroxy{[Hydroxy(1H-Imidazol-1-Yl)Phosphoryl]Oxy}Phosphoryl)Oxy]Phosphoryl}Pentofuranosyl)-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C13H18N7O12P3 |
| IUPAC Name | [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-imidazol-1-yl-phosphinic acid |
| Molecular Mass | 557.243 g·mol−1 |
| Heat of Formation | -2712.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.22 ± 1.08 D |
| Volume | 533.46 Å 3 |
| Surface Area | 380.54 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | 0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KMJRKPSVWPKZFD-QYVSTXNMSA-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 |