ChemSpider 2D Image | (4R)-3-Hydroxy-7,7-dimethyl-2-phenyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | C27H29N3O5

(4R)-3-Hydroxy-7,7-dimethyl-2-phenyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

  • Molecular FormulaC27H29N3O5
  • Average mass475.536 Da
  • Monoisotopic mass475.210724 Da
  • ChemSpider ID62564914

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-3-Hydroxy-7,7-dimethyl-2-phenyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]chinolin-5-on [German] [ACD/IUPAC Name]
(4R)-3-Hydroxy-7,7-diméthyl-2-phényl-4-(3,4,5-triméthoxyphényl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinoléin-5-one [French] [ACD/IUPAC Name]
(4R)-3-Hydroxy-7,7-dimethyl-2-phenyl-4-(3,4,5-trimethoxyphenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one [ACD/IUPAC Name]
5H-Pyrazolo[3,4-b]quinolin-5-one, 2,4,6,7,8,9-hexahydro-3-hydroxy-7,7-dimethyl-2-phenyl-4-(3,4,5-trimethoxyphenyl)-, (4R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 583.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 306.8±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1372.09
ACD/KOC (pH 5.5): 6089.77
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1194.46
ACD/KOC (pH 7.4): 5301.40
Polar Surface Area: 95 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 359.4±7.0 cm3

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