ChemSpider 2D Image | (1alpha,2beta,3beta)-2-Fluorocholest-5-ene-1,3-diol | C27H45FO2

(1α,2β,3β)-2-Fluorocholest-5-ene-1,3-diol

  • Molecular FormulaC27H45FO2
  • Average mass420.643 Da
  • Monoisotopic mass420.340363 Da
  • ChemSpider ID73979348

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,2β,3β)-2-Fluorcholest-5-en-1,3-diol [German] [ACD/IUPAC Name]
(1α,2β,3β)-2-Fluorocholest-5-ene-1,3-diol [ACD/IUPAC Name]
(1α,2β,3β)-2-Fluorocholest-5-ène-1,3-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-1,3-diol, 2-fluoro-, (1α,2β,3β)- [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: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 68782.68
ACD/KOC (pH 5.5): 100982.97
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 68782.53
ACD/KOC (pH 7.4): 100982.75
Polar Surface Area: 40 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 394.9±5.0 cm3

Click to predict properties on the Chemicalize site


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