ChemSpider 2D Image | (25S)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol | C27H48O4

(25S)-5β-cholestane-3α,7α,12α,26-tetrol

  • Molecular FormulaC27H48O4
  • Average mass436.668 Da
  • Monoisotopic mass436.355255 Da
  • ChemSpider ID21865611
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(25S)-5β-cholestane-3α,7α,12α,26-tetrol
(3α,5β,7α,12α,25S)-Cholestan-3,7,12,26-tetrol [German] [ACD/IUPAC Name]
(3α,5β,7α,12α,25S)-Cholestane-3,7,12,26-tetrol [ACD/IUPAC Name]
(3α,5β,7α,12α,25S)-Cholestane-3,7,12,26-tétrol [French] [ACD/IUPAC Name]
Cholestane-3,7,12,26-tetrol, (3α,5β,7α,12α,25S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 572.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 240.4±24.7 °C
Index of Refraction: 1.542
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.78
ACD/KOC (pH 5.5): 1958.49
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.78
ACD/KOC (pH 7.4): 1958.49
Polar Surface Area: 81 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 397.6±3.0 cm3

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