[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(R)-Bromo-[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C11H17BrN5O12P3 |
| IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[(r)-bromo-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
| Molecular Mass | 584.104 g·mol−1 |
| Heat of Formation | -2648.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.83 ± 1.08 D |
| Volume | 523.36 Å 3 |
| Surface Area | 426.58 Å 2 |
| HOMO Energy | -9.06 ± 0.55 eV |
| LUMO Energy | -1.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VCUIKTYCJRVACE-IFWOQMCBSA-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 |