[(2S,5R)-5-(2-Amino-8-Bromo-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl (4,5-Dimethoxy-2-Nitro-Phenyl)Methyl Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H22BrN6O11P+ |
| IUPAC Name | [(2s,5r)-5-(2-amino-8-bromo-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2,5-dihydrofuran-2-yl]methyl (4,5-dimethoxy-2-nitro-phenyl)methyl hydrogen phosphate |
| Molecular Mass | 621.289 g·mol−1 |
| Heat of Formation | -1407.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.40 ± 1.08 D |
| Volume | 588.33 Å 3 |
| Surface Area | 403.73 Å 2 |
| HOMO Energy | -8.73 ± 0.55 eV |
| LUMO Energy | -0.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QICHQLKKZIWPLR-HUTHGQBESA-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 Br |