ChemSpider 2D Image | (3beta,7alpha,9beta,16beta,17xi,24R)-20,24-Epoxy-9,19-cyclolanostane-3,7,16,25-tetrol | C30H50O5

(3β,7α,9β,16β,17ξ,24R)-20,24-Epoxy-9,19-cyclolanostane-3,7,16,25-tetrol

  • Molecular FormulaC30H50O5
  • Average mass490.715 Da
  • Monoisotopic mass490.365814 Da
  • ChemSpider ID22870884

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(3β,7α,9β,16β,17ξ,24R)-20,24-Epoxy-9,19-cyclolanostan-3,7,16,25-tetrol [German] [ACD/IUPAC Name]
(3β,7α,9β,16β,17ξ,24R)-20,24-Epoxy-9,19-cyclolanostane-3,7,16,25-tetrol [ACD/IUPAC Name]
(3β,7α,9β,16β,17ξ,24R)-20,24-Époxy-9,19-cyclolanostane-3,7,16,25-tétrol [French] [ACD/IUPAC Name]
9,19-Cyclolanostane-3,7,16,25-tetrol, 20,24-epoxy-, (3β,7α,9β,16β,17ξ,24R)- [ACD/Index Name]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 617.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±6.0 kJ/mol
    Flash Point: 327.1±31.5 °C
    Index of Refraction: 1.582
    Molar Refractivity: 136.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.48
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 393.29
    ACD/KOC (pH 5.5): 2505.52
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 393.29
    ACD/KOC (pH 7.4): 2505.52
    Polar Surface Area: 90 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 408.8±5.0 cm3

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