ChemSpider 2D Image | (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxycholane-24-peroxoic acid | C24H40O6

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxycholane-24-peroxoic acid

  • Molecular FormulaC24H40O6
  • Average mass424.571 Da
  • Monoisotopic mass424.282501 Da
  • ChemSpider ID26949105

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxycholan-24-peroxosäure [German] [ACD/IUPAC Name]
(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxycholane-24-peroxoic acid [ACD/IUPAC Name]
Acide (3α,5β,7α,8ξ,12α)-3,7,12-trihydroxycholane-24-peroxoïque [French] [ACD/IUPAC Name]
Cholane-24-peroxoic acid, 3,7,12-trihydroxy-, (3α,5β,7α,8ξ,12α)- [ACD/Index Name]
percholic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 192.9±26.4 °C
Index of Refraction: 1.557
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.48
ACD/KOC (pH 5.5): 693.57
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 49.79
ACD/KOC (pH 7.4): 527.34
Polar Surface Area: 107 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 351.2±3.0 cm3

Click to predict properties on the Chemicalize site


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