ChemSpider 2D Image | (3beta,5beta,6alpha)-Pregnane-3,6,20-triol | C21H36O3

(3β,5β,6α)-Pregnane-3,6,20-triol

  • Molecular FormulaC21H36O3
  • Average mass336.509 Da
  • Monoisotopic mass336.266449 Da
  • ChemSpider ID128919577

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5β,6α)-Pregnan-3,6,20-triol [German] [ACD/IUPAC Name]
(3β,5β,6α)-Pregnane-3,6,20-triol [ACD/IUPAC Name]
(3β,5β,6α)-Prégnane-3,6,20-triol [French] [ACD/IUPAC Name]
Pregnane-3,6,20-triol, (3β,5β,6α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 474.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 210.5±16.4 °C
Index of Refraction: 1.548
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.77
ACD/KOC (pH 5.5): 719.16
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.77
ACD/KOC (pH 7.4): 719.16
Polar Surface Area: 61 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site


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