ChemSpider 2D Image | (16xi,19E)-1-Methylsarpagan-17-ol | C20H24N2O

(16ξ,19E)-1-Methylsarpagan-17-ol

  • Molecular FormulaC20H24N2O
  • Average mass308.417 Da
  • Monoisotopic mass308.188873 Da
  • ChemSpider ID57257020

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(16ξ,19E)-1-Methylsarpagan-17-ol [German] [ACD/IUPAC Name]
(16ξ,19E)-1-Methylsarpagan-17-ol [ACD/IUPAC Name]
(16ξ,19E)-1-Méthylsarpagan-17-ol [French] [ACD/IUPAC Name]
Sarpagan-17-ol, 1-methyl-, (16ξ)- [ACD/Index Name]
(+)-Affinisine
2912-11-0 [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: 475.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.8±3.0 kJ/mol
    Flash Point: 241.3±28.7 °C
    Index of Refraction: 1.719
    Molar Refractivity: 90.4±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.04
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 17.35
    ACD/KOC (pH 7.4): 136.85
    Polar Surface Area: 28 Å2
    Polarizability: 35.8±0.5 10-24cm3
    Surface Tension: 50.8±7.0 dyne/cm
    Molar Volume: 229.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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