6-[(4-Bromo-2,3-Dioxobutyl)Sulfanyl]-9-(5-O-Phosphono-α-D-Ribofuranosyl)-9H-Purine
Properties
| Property | Value |
|---|---|
| Formula | C14H16BrN4O9PS |
| IUPAC Name | [(2s,3r,4r,5r)-5-[6-(4-bromo-2,3-dioxo-butyl)sulfanylpurin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 527.241 g·mol−1 |
| Heat of Formation | -1538.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.26 ± 1.08 D |
| Volume | 493.78 Å 3 |
| Surface Area | 426.51 Å 2 |
| HOMO Energy | -9.11 ± 0.55 eV |
| LUMO Energy | -1.45 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LNZMNGVFZNPYKL-HJUHTLPRSA-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 S Br |