[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-Pyridin-1-Ium-3-Id-3-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C20H27N5O7P
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-pyridin-1-ium-3-id-3-yl]methyl dihydrogen phosphate
Molecular Mass 480.431 g·mol−1
Heat of Formation -886.5 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 503.74 Å 3
Surface Area 452.88 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
InChIKey JVGFKKJFJFRSEC-UHFFFAOYSA-O
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