1-[9-[(2S,4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-6-Amino-Purine-1,3,7-Triium-8-Yl]Sulfanyl-4-Bromo-Butane-2,3-Dione
Properties
| Property | Value |
|---|---|
| Formula | C14H15BrN5O8PS |
| IUPAC Name | 1-[9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-amino-purine-1,3,7-triium-8-yl]sulfanyl-4-bromo-butane-2,3-dione |
| Molecular Mass | 524.240 g·mol−1 |
| Heat of Formation | -1232.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.55 ± 1.08 D |
| Volume | 477.52 Å 3 |
| Surface Area | 408.98 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | -1.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ABOHTVPOPHEALE-QYVSTXNMSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Elements | C H O N P S Br |