(5-Hydroxy-4-{[(7-Hydroxy-6-Oxo-2-Phenyl-6,7-Dihydro-2H-Pyrazolo[3,4-B]Pyridin-5-Yl)Amino]Methyl}-6-Methyl-3-Pyridinyl)Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C20H20N5O7P
IUPAC Name [5-hydroxy-4-[[(7-hydroxy-6-oxo-2-phenyl-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 473.376 g·mol−1
Heat of Formation 2101.0 ± 16.7 kJ·mol−1
Dipole Moment 19.20 ± 1.08 D
Volume 454.35 Å 3
Surface Area 392.25 Å 2
HOMO Energy -7.68 ± 0.55 eV
LUMO Energy -3.76 ± eV
Point Group Symmetry C1
InChIKey FBCNGBFCTRTRCW-UHFFFAOYSA-N
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