ChemSpider 2D Image | (3alpha,5alpha,7alpha,12beta,17xi)-Cholestane-3,7,12,25-tetrol | C27H48O4

(3α,5α,7α,12β,17ξ)-Cholestane-3,7,12,25-tetrol

  • Molecular FormulaC27H48O4
  • Average mass436.668 Da
  • Monoisotopic mass436.355255 Da
  • ChemSpider ID59651443
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(3α,5α,7α,12β,17ξ)-Cholestan-3,7,12,25-tetrol [German] [ACD/IUPAC Name]
(3α,5α,7α,12β,17ξ)-Cholestane-3,7,12,25-tetrol [ACD/IUPAC Name]
(3α,5α,7α,12β,17ξ)-Cholestane-3,7,12,25-tétrol [French] [ACD/IUPAC Name]
(3α,5α,7α,8ξ,12α,17ξ)-Cholestan-3,7,12,25-tetrol [German] [ACD/IUPAC Name]
(3α,5α,7α,8ξ,12α,17ξ)-Cholestane-3,7,12,25-tetrol [ACD/IUPAC Name]
(3α,5α,7α,8ξ,12α,17ξ)-Cholestane-3,7,12,25-tétrol [French] [ACD/IUPAC Name]
Cholestane-3,7,12,25-tetrol, (3α,5α,7α,12β,17ξ)- [ACD/Index Name]
Cholestane-3,7,12,25-tetrol, (3α,5α,7α,8ξ,12α,17ξ)- [ACD/Index Name]
(1S,2S,5R,7R,9R,10R,11S,15R,16S)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecane-5,9,16-triol
5a-Cholestane-3a,7a,12a,25-tetrol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 238.3±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: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.94
ACD/KOC (pH 5.5): 1999.38
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.94
ACD/KOC (pH 7.4): 1999.38
Polar Surface Area: 81 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 397.3±3.0 cm3

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