[(2R,3S,4R,5R)-3,4-Dihydroxy-5-[5-[[4-[3-(Trifluoromethyl)Phenyl]Sulfonylphenyl]Methylcarbamoyl]Pyrazolo[3,4-B]Pyridin-7-Ium-3A-Id-1-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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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-3a-id-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 673.532 g·mol−1
Heat of Formation -2218.0 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 688.36 Å 3
Surface Area 581.37 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
InChIKey ODXKTSJZWLMYCS-NMOFPLQQSA-O
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