ChemSpider 2D Image | Cholestane-3,12,16-triol | C27H48O3

Cholestane-3,12,16-triol

  • Molecular FormulaC27H48O3
  • Average mass420.668 Da
  • Monoisotopic mass420.360352 Da
  • ChemSpider ID24627321

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

Cholestan-3,12,16-triol [German] [ACD/IUPAC Name]
Cholestane-3,12,16-triol [ACD/Index Name] [ACD/IUPAC Name]
Cholestane-3,12,16-triol [French] [ACD/Index Name] [ACD/IUPAC Name]
3,12,16-trihydroxycholestane
5α-cholestan-3α,12α,16α-triol

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±45.0 °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±23.3 °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: 6.47
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4815.87
ACD/KOC (pH 5.5): 15053.98
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4815.87
ACD/KOC (pH 7.4): 15053.98
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

Click to predict properties on the Chemicalize site


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