ChemSpider 2D Image | (3xi,8alpha,9R)-6'-Methoxycinchonan-9-ol | C20H24N2O2

(3ξ,8α,9R)-6'-Methoxycinchonan-9-ol

  • Molecular FormulaC20H24N2O2
  • Average mass324.417 Da
  • Monoisotopic mass324.183777 Da
  • ChemSpider ID22875363

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ,8α,9R)-6'-Methoxycinchonan-9-ol [ACD/IUPAC Name]
(3ξ,8α,9R)-6'-Methoxycinchonan-9-ol [German] [ACD/IUPAC Name]
(3ξ,8α,9R)-6'-Méthoxycinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, 6'-methoxy-, (3ξ,8α,9R)- [ACD/Index Name]
(R)-[(2S,4S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 495.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.4±3.0 kJ/mol
    Flash Point: 253.7±27.3 °C
    Index of Refraction: 1.638
    Molar Refractivity: 95.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): -0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 1.66
    ACD/KOC (pH 7.4): 14.97
    Polar Surface Area: 46 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 56.0±5.0 dyne/cm
    Molar Volume: 266.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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