[[(2S,3S,5R)-5-[6-Amino-2-(3-Bromo-2-Oxo-Propyl)Sulfanyl-Purine-1,3,7-Triium-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C13H18BrN5O11P2S |
| IUPAC Name | [[(2s,3s,5r)-5-[6-amino-2-(3-bromo-2-oxo-propyl)sulfanyl-purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]-phosphonooxy-methyl] dihydrogen phosphate |
| Molecular Mass | 594.225 g·mol−1 |
| Heat of Formation | -2392.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.65 ± 1.08 D |
| Volume | 545.07 Å 3 |
| Surface Area | 393.48 Å 2 |
| HOMO Energy | -8.69 ± 0.55 eV |
| LUMO Energy | -0.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AUQFPWWYFDKMRD-OOZYFLPDSA-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 |