ChemSpider 2D Image | (3beta,5alpha,10xi,13xi)-7,7-Difluorocholestan-3-ol | C27H46F2O

(3β,5α,10ξ,13ξ)-7,7-Difluorocholestan-3-ol

  • Molecular FormulaC27H46F2O
  • Average mass424.650 Da
  • Monoisotopic mass424.351685 Da
  • ChemSpider ID58816428

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5α,10ξ,13ξ)-7,7-Difluorcholestan-3-ol [German] [ACD/IUPAC Name]
(3β,5α,10ξ,13ξ)-7,7-Difluorocholestan-3-ol [ACD/IUPAC Name]
(3β,5α,10ξ,13ξ)-7,7-Difluorocholestan-3-ol [French] [ACD/IUPAC Name]
Cholestan-3-ol, 7,7-difluoro-, (3β,5α,10ξ,13ξ)- [ACD/Index Name]
111300-79-9 [RN]
7,7-difluorocholestanol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 475.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.1±6.0 kJ/mol
Flash Point: 241.1±25.9 °C
Index of Refraction: 1.501
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 8.02
ACD/BCF (pH 5.5): 731865.69
ACD/KOC (pH 5.5): 548693.50
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 731865.69
ACD/KOC (pH 7.4): 548693.50
Polar Surface Area: 20 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 35.9±5.0 dyne/cm
Molar Volume: 409.1±5.0 cm3

Click to predict properties on the Chemicalize site


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