Found 3 results

Search term: PFZUIDNKXWIWBG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3alpha,5alpha,7alpha,12alpha)-Cholane-3,7,12-triol | C24H42O3

(3α,5α,7α,12α)-Cholane-3,7,12-triol

  • Molecular FormulaC24H42O3
  • Average mass378.589 Da
  • Monoisotopic mass378.313385 Da
  • ChemSpider ID66423906

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5α,7α,12α)-Cholan-3,7,12-triol [German] [ACD/IUPAC Name]
(3α,5α,7α,12α)-Cholane-3,7,12-triol [ACD/IUPAC Name]
(3α,5α,7α,12α)-Cholane-3,7,12-triol [French] [ACD/IUPAC Name]
Cholane-3,7,12-triol, (3α,5α,7α,12α)- [ACD/Index Name]
5a-cholan-3a,7a,12a-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: 504.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 216.8±24.7 °C
Index of Refraction: 1.539
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 347.88
ACD/KOC (pH 5.5): 2294.86
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 347.88
ACD/KOC (pH 7.4): 2294.86
Polar Surface Area: 61 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 350.2±3.0 cm3

Click to predict properties on the Chemicalize site


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