ChemSpider 2D Image | cinchonan-3,9-diol, 6'-methoxy-, (9R)- | C20H24N2O3

cinchonan-3,9-diol, 6'-methoxy-, (9R)-

  • Molecular FormulaC20H24N2O3
  • Average mass340.416 Da
  • Monoisotopic mass340.178680 Da
  • ChemSpider ID21431220

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

cinchonan-3,9-diol, 6'-methoxy-, (9R)-
(3S)-3-hydroxyquinine
(8a,9R)-6-Methoxycinchonan-3,9-diol
78549-61-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 97.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 24.69
Polar Surface Area: 66 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 263.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement