[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(3-Bromo-2-Oxo-Propyl)Sulfanyl-Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C13H19BrN5O8PS+ |
| IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(3-bromo-2-oxo-propyl)sulfanyl-phosphinic acid |
| Molecular Mass | 516.261 g·mol−1 |
| Heat of Formation | -1354.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.64 ± 1.08 D |
| Volume | 473.12 Å 3 |
| Surface Area | 367.88 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RSGJETLHBANJLJ-WOUKDFQISA-P |
| 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 S Br |