1-(5-O-Phosphono-β-D-Ribofuranosyl)-N-(4-{[3-(Trifluoromethyl)Phenyl]Sulfonyl}Benzyl)-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C26H24F3N4O10PS |
| IUPAC Name | [(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methylcarbamoyl]pyrazolo[3,4-b]pyridin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
| Molecular Mass | 672.524 g·mol−1 |
| Heat of Formation | -2270.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.98 ± 1.08 D |
| Volume | 689.36 Å 3 |
| Surface Area | 507.68 Å 2 |
| HOMO Energy | -9.73 ± 0.55 eV |
| LUMO Energy | -1.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MBKCNGJHWVWHDL-NMOFPLQQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N P S |