ChemSpider 2D Image | (3alpha,8alpha,9R,10R)-6'-Methoxy-10,11-dihydro-10,11-epoxycinchonan-9-ol | C20H24N2O3

(3α,8α,9R,10R)-6'-Methoxy-10,11-dihydro-10,11-epoxycinchonan-9-ol

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID25993097

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(3α,8α,9R,10R)-6'-Methoxy-10,11-dihydro-10,11-epoxycinchonan-9-ol [ACD/IUPAC Name]
(3α,8α,9R,10R)-6'-Methoxy-10,11-dihydro-10,11-epoxycinchonan-9-ol [German] [ACD/IUPAC Name]
(3α,8α,9R,10R)-6'-Méthoxy-10,11-dihydro-10,11-époxycinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, 10,11-epoxy-10,11-dihydro-6'-methoxy-, (3α,8α,9R,10R)- [ACD/Index Name]
(6-methoxyquinolin-4-yl)-[(5R,7S)-5-(oxiran-2-yl)-1-azabicyclo[2.2.2]octan-7-yl]methanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.8±28.7 °C
Index of Refraction: 1.661
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.70
Polar Surface Area: 58 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 259.0±5.0 cm3

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