ChemSpider 2D Image | (2beta,5beta,6beta,8alpha,9beta,10alpha,13alpha,16beta)-Kaurane-2,6,16-triol | C20H34O3

(2β,5β,6β,8α,9β,10α,13α,16β)-Kaurane-2,6,16-triol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID28424486

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2β,5β,6β,8α,9β,10α,13α,16β)-Kauran-2,6,16-triol [German] [ACD/IUPAC Name]
(2β,5β,6β,8α,9β,10α,13α,16β)-Kaurane-2,6,16-triol [ACD/IUPAC Name]
(2β,5β,6β,8α,9β,10α,13α,16β)-Kaurane-2,6,16-triol [French] [ACD/IUPAC Name]
[41530-90-9] [RN]
2,6,16-Kauranetriol
41530-90-9 [RN]
MFCD17214868

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 456.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±6.0 kJ/mol
    Flash Point: 204.0±23.3 °C
    Index of Refraction: 1.565
    Molar Refractivity: 91.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 3.20
    ACD/BCF (pH 5.5): 160.54
    ACD/KOC (pH 5.5): 1319.39
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 160.54
    ACD/KOC (pH 7.4): 1319.39
    Polar Surface Area: 61 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 49.1±5.0 dyne/cm
    Molar Volume: 279.3±5.0 cm3

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