(2R,4As,6S,7S,7As)-6-(6-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-2-[(4,5-Dimethoxy-2-Nitro-Phenyl)Methoxy]-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol
Properties
| Property | Value |
|---|---|
| Formula | C19H20BrN6O10P |
| IUPAC Name | (2r,4as,6s,7s,7as)-6-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol |
| Molecular Mass | 603.274 g·mol−1 |
| Heat of Formation | -1240.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.20 ± 1.08 D |
| Volume | 557.74 Å 3 |
| Surface Area | 417.05 Å 2 |
| HOMO Energy | -8.52 ± 0.55 eV |
| LUMO Energy | -1.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CEPYBRXZQVVNMA-KCLJYVBOSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P Br |