ChemSpider 2D Image | (24S)-5beta-cholestane-3alpha,7alpha,24-triol | C27H48O3

(24S)-5β-cholestane-3α,7α,24-triol

  • Molecular FormulaC27H48O3
  • Average mass420.668 Da
  • Monoisotopic mass420.360352 Da
  • ChemSpider ID27471310

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(24S)-5β-cholestane-3α,7α,24-triol
(3α,5β,7α,24S)-Cholestan-3,7,24-triol [German] [ACD/IUPAC Name]
(3α,5β,7α,24S)-Cholestane-3,7,24-triol [ACD/IUPAC Name]
(3α,5β,7α,24S)-Cholestane-3,7,24-triol [French] [ACD/IUPAC Name]
Cholestane-3,7,24-triol, (3α,5β,7α,24S)- [ACD/Index Name]
5β-cholestan-3α,7α,24(S)-triol

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

CHEBI:63831 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 535.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 222.9±17.8 °C
Index of Refraction: 1.528
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2307.70
ACD/KOC (pH 5.5): 8891.19
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2307.70
ACD/KOC (pH 7.4): 8891.19
Polar Surface Area: 61 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 401.0±3.0 cm3

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