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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Elements |
P
C
O
N
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