ChemSpider 2D Image | (3alpha,7alpha,12alpha)-Cholestane-3,7,12,25,26-pentol | C27H48O5

(3α,7α,12α)-Cholestane-3,7,12,25,26-pentol

  • Molecular FormulaC27H48O5
  • Average mass452.667 Da
  • Monoisotopic mass452.350189 Da
  • ChemSpider ID128920268

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(3α,7α,12α)-Cholestan-3,7,12,25,26-pentol [German] [ACD/IUPAC Name]
(3α,7α,12α)-Cholestane-3,7,12,25,26-pentol [ACD/IUPAC Name]
(3α,7α,12α)-Cholestane-3,7,12,25,26-pentol [French] [ACD/IUPAC Name]
Cholestane-3,7,12,25,26-pentol, (3α,7α,12α)- [ACD/Index Name]
(1R,3aS,3bR,4R,7R,9aS,9bS,11S,11aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
Bufol
cholestane-3α,7α,12α,25,26-pentol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 260.1±26.1 °C
Index of Refraction: 1.554
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.74
ACD/KOC (pH 5.5): 494.42
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.74
ACD/KOC (pH 7.4): 494.42
Polar Surface Area: 101 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


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