(2R,4Ar,6R,7R,7As)-6-(6-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-2-Hydroxy-2-Sulfido-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-2-Ium-7-Ol
Properties
| Property | Value |
|---|---|
| Formula | C10H14BrN5O5PS |
| IUPAC Name | (2r,4ar,6r,7r,7as)-6-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-2-hydroxy-2-sulfido-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol |
| Molecular Mass | 427.191 g·mol−1 |
| Heat of Formation | -766.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.99 ± 1.08 D |
| Volume | 371.79 Å 3 |
| Surface Area | 319.84 Å 2 |
| HOMO Energy | -9.10 ± 0.55 eV |
| LUMO Energy | -1.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UJYBWFOWWVNNCY-KVBUDSETSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S Br |