[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Bromo-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C10H13BrN5O6P |
| IUPAC Name | [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-bromo-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 410.118 g·mol−1 |
| Heat of Formation | -1096.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.88 ± 1.08 D |
| Volume | 364.99 Å 3 |
| Surface Area | 321.15 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DNUVXADFKKEEQN-QYYRPYCUSA-O |
| QR Code | Generate QR Code |
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| Elements | C H O N P Br |