ChemSpider 2D Image | (3beta,5alpha)-Pregnan-3-ol | C21H36O

(3β,5α)-Pregnan-3-ol

  • Molecular FormulaC21H36O
  • Average mass304.510 Da
  • Monoisotopic mass304.276611 Da
  • ChemSpider ID24829422

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α)-Pregnan-3-ol [ACD/IUPAC Name]
(3β,5α)-Pregnan-3-ol [German] [ACD/IUPAC Name]
(3β,5α)-Prégnan-3-ol [French] [ACD/IUPAC Name]
Pregnan-3-ol, (3β,5α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.7±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 166.2±11.5 °C
Index of Refraction: 1.512
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16190.47
ACD/KOC (pH 5.5): 35857.08
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16190.47
ACD/KOC (pH 7.4): 35857.08
Polar Surface Area: 20 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

Click to predict properties on the Chemicalize site


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