9-{5-O-[{Bromo[Hydroxy(Phosphonooxy)Phosphoryl]Methyl}(Hydroxy)Phosphoryl]-D-Ribofuranosyl}-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C11H17BrN5O12P3 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[(s)-bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
| Molecular Mass | 584.104 g·mol−1 |
| Heat of Formation | -2693.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.78 ± 1.08 D |
| Volume | 510.1 Å 3 |
| Surface Area | 406.5 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZDDAIIYYHYDHQ-IFWOQMCBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P Br |