ChemSpider 2D Image | (3beta,5alpha,7beta,8alpha,9beta,10alpha,12beta,13alpha,14beta,17alpha)-Cholestane-3,7,12-triol | C27H48O3

(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α)-Cholestane-3,7,12-triol

  • Molecular FormulaC27H48O3
  • Average mass420.668 Da
  • Monoisotopic mass420.360352 Da
  • ChemSpider ID111309468

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α)-Cholestan-3,7,12-triol [German] [ACD/IUPAC Name]
(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α)-Cholestane-3,7,12-triol [ACD/IUPAC Name]
(3β,5α,7β,8α,9β,10α,12β,13α,14β,17α)-Cholestane-3,7,12-triol [French] [ACD/IUPAC Name]
Cholestane-3,7,12-triol, (3β,5α,7β,8α,9β,10α,12β,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.5±50.0 °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: 222.8±24.7 °C
Index of Refraction: 1.530
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2590.31
ACD/KOC (pH 5.5): 9657.67
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2590.31
ACD/KOC (pH 7.4): 9657.67
Polar Surface Area: 61 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

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