ChemSpider 2D Image | (3alpha,5beta,24S)-Cholestane-3,7,24,25-tetrol | C27H48O4

(3α,5β,24S)-Cholestane-3,7,24,25-tetrol

  • Molecular FormulaC27H48O4
  • Average mass436.668 Da
  • Monoisotopic mass436.355255 Da
  • ChemSpider ID57539575
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3α,5β,24S)-Cholestan-3,7,24,25-tetrol [German] [ACD/IUPAC Name]
(3α,5β,24S)-Cholestane-3,7,24,25-tetrol [ACD/IUPAC Name]
(3α,5β,24S)-Cholestane-3,7,24,25-tétrol [French] [ACD/IUPAC Name]
Cholestane-3,7,24,25-tetrol, (3α,5β,24S)- [ACD/Index Name]
66965-02-4 [RN]
PUBCHEM_71368889

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 242.6±19.2 °C
Index of Refraction: 1.540
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 581.30
ACD/KOC (pH 5.5): 3314.04
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.30
ACD/KOC (pH 7.4): 3314.04
Polar Surface Area: 81 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 398.2±3.0 cm3

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