ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha)-Kaurane-3,16,17-triol | C20H34O3

(3α,5β,8α,9β,10α)-Kaurane-3,16,17-triol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID57256796

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α)-Kauran-3,16,17-triol [German] [ACD/IUPAC Name]
(3α,5β,8α,9β,10α)-Kaurane-3,16,17-triol [ACD/IUPAC Name]
(3α,5β,8α,9β,10α)-Kaurane-3,16,17-triol [French] [ACD/IUPAC Name]
130855-22-0 [RN]
Ent-kaurane-3,16,17-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: 461.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 207.1±21.9 °C
Index of Refraction: 1.567
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 335.96
ACD/KOC (pH 5.5): 2238.33
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 335.96
ACD/KOC (pH 7.4): 2238.33
Polar Surface Area: 61 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 278.6±5.0 cm3

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