ChemSpider 2D Image | (3alpha,5alpha,6beta,14xi,15alpha)-Cevane-3,6,15-triol | C27H45NO3

(3α,5α,6β,14ξ,15α)-Cevane-3,6,15-triol

  • Molecular FormulaC27H45NO3
  • Average mass431.651 Da
  • Monoisotopic mass431.339935 Da
  • ChemSpider ID22875003

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3α,5α,6β,14ξ,15α)-Cevan-3,6,15-triol [German] [ACD/IUPAC Name]
(3α,5α,6β,14ξ,15α)-Cevane-3,6,15-triol [ACD/IUPAC Name]
(3α,5α,6β,14ξ,15α)-Cévane-3,6,15-triol [French] [ACD/IUPAC Name]
Cevane-3,6,15-triol, (3α,5α,6β,14ξ,15α)- [ACD/Index Name]
(3R,4aS,5R,6aR,7S,8aS,9R,9aS,12S,15aR,15bS,16aS,16bR)-9,12,16b-trimethyltetracosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,5,7-triol

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 572.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.5±6.0 kJ/mol
    Flash Point: 278.7±28.8 °C
    Index of Refraction: 1.590
    Molar Refractivity: 123.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.39
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 2.38
    ACD/KOC (pH 7.4): 12.42
    Polar Surface Area: 64 Å2
    Polarizability: 48.8±0.5 10-24cm3
    Surface Tension: 52.5±5.0 dyne/cm
    Molar Volume: 364.8±5.0 cm3

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