ChemSpider 2D Image | (3beta,5alpha,17beta)-Cevane-3,20-diol | C27H45NO2

(3β,5α,17β)-Cevane-3,20-diol

  • Molecular FormulaC27H45NO2
  • Average mass415.652 Da
  • Monoisotopic mass415.345032 Da
  • ChemSpider ID24600615

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5α,17β)-Cevan-3,20-diol [German] [ACD/IUPAC Name]
(3β,5α,17β)-Cevane-3,20-diol [ACD/IUPAC Name]
(3β,5α,17β)-Cévane-3,20-diol [French] [ACD/IUPAC Name]
Cevane-3,20-diol, (3β,5α,17β)- [ACD/Index Name]
(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bS)-9,12,16b-trimethyltetracosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,9-diol
61989-76-2 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 534.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±6.0 kJ/mol
    Flash Point: 247.0±21.8 °C
    Index of Refraction: 1.578
    Molar Refractivity: 121.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 6.15
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 13.00
    ACD/KOC (pH 5.5): 29.68
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 126.00
    ACD/KOC (pH 7.4): 287.72
    Polar Surface Area: 44 Å2
    Polarizability: 48.2±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 366.1±5.0 cm3

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