[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(2-Oxo-2-Phenylethyl)Sulfanyl]Ethyl}Amino)Propyl]Amino }Butyl Dihydrogen Diphosphate (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C29H42N7O17P3S |
| IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-phenacylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate |
| Molecular Mass | 885.667 g·mol−1 |
| Heat of Formation | -3685.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.99 ± 1.08 D |
| Volume | 939.16 Å 3 |
| Surface Area | 771.03 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | -1.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WOEFYXMDPBOUAP-VXAHOBLNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N P S |