ChemSpider 2D Image | (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 | C20H20N5O7P

(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

  • Molecular FormulaC20H20N5O7P
  • Average mass473.376 Da
  • Monoisotopic mass473.110046 Da
  • ChemSpider ID35033386

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(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 [ACD/IUPAC Name]
(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)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
6H-Pyrazolo[3,4-b]pyridin-6-one, 2,7-dihydro-7-hydroxy-5-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]-2-phenyl- [ACD/Index Name]
Dihydrogénophosphate de (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phényl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]méthyl}-6-méthyl-3-pyridinyl)méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 877.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.2±37.1 °C
Index of Refraction: 1.736
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -3.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 79.5±7.0 dyne/cm
Molar Volume: 285.6±7.0 cm3

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