1-(5-O-Phosphono-β-D-Ribofuranosyl)-N-(4-{[3-(Trifluoromethyl)Phenyl]Sulfonyl}Benzyl)-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxamide

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Formula C26H25F3N4O10PS
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methylcarbamoyl]pyrazolo[3,4-b]pyridin-7-ium-5-id-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 673.531 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
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