ChemSpider 2D Image | Pregnane | C21H36

Pregnane

  • Molecular FormulaC21H36
  • Average mass288.510 Da
  • Monoisotopic mass288.281708 Da
  • ChemSpider ID21864755

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5ξ)-Pregnan [German] [ACD/IUPAC Name]
(5ξ)-Pregnane [ACD/IUPAC Name]
(5ξ)-Prégnane [French] [ACD/IUPAC Name]
Pregnane [ACD/Index Name] [ACD/IUPAC Name]
Pregnane, (5ξ)- [ACD/Index Name]
481-26-5 [RN]

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

CHEBI:8386 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 362.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 58.4±0.8 kJ/mol
Flash Point: 162.7±12.3 °C
Index of Refraction: 1.496
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.44
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 230375.00
ACD/KOC (pH 5.5): 239886.78
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 230375.00
ACD/KOC (pH 7.4): 239886.78
Polar Surface Area: 0 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


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