[(2R,3S,4S,5S)-5-[6-[[4-[(2-Bromoacetyl)Amino]Phenyl]Methylamino]Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C19H22BrN6O8P |
| IUPAC Name | [(2r,3s,4s,5s)-5-[6-[[4-[(2-bromoacetyl)amino]phenyl]methylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 573.291 g·mol−1 |
| Heat of Formation | -1384.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.13 ± 1.08 D |
| Volume | 561.61 Å 3 |
| Surface Area | 490.44 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | -0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | COPJUVBHUDUVJM-RXMXQMHTSA-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 Br |