ChemSpider 2D Image | MFCD05618288 | C24H38O4

MFCD05618288

  • Molecular FormulaC24H38O4
  • Average mass390.556 Da
  • Monoisotopic mass390.277008 Da
  • ChemSpider ID71081086

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3α,10ξ,12α)-3,12-Dihydroxychol-8(14)-en-24-oic acid [ACD/IUPAC Name]
(3α,10ξ,12α)-3,12-Dihydroxychol-8(14)-en-24-säure [German] [ACD/IUPAC Name]
Acide (3α,10ξ,12α)-3,12-dihydroxychol-8(14)-én-24-oïque [French] [ACD/IUPAC Name]
Chol-8(14)-en-24-oic acid, 3,12-dihydroxy-, (3α,10ξ,12α)- [ACD/Index Name]
MFCD05618288
3-α,12-α-Dihydroxy-5-β-chol-8(14)-en-24-oic 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: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 306.8±26.6 °C
Index of Refraction: 1.567
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 268.58
ACD/KOC (pH 5.5): 1113.50
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 17.76
Polar Surface Area: 78 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 333.7±5.0 cm3

Click to predict properties on the Chemicalize site


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