(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 C20H26N5O7P
IUPAC Name [5-hydroxy-4-[[(7-hydroxy-6-oxo-2-phenyl-3,4-dihydropyrazolo[3,4-b]pyridine-1,3,3a,4,5,7a-hexaid-5-yl)amino]methyl]-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 479.424 g·mol−1
Heat of Formation -886.5 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 503.86 Å 3
Surface Area 452.79 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey FBCNGBFCTRTRCW-UHFFFAOYSA-N
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