ChemSpider 2D Image | (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oic acid | C26H44O4

(3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oic acid

  • Molecular FormulaC26H44O4
  • Average mass420.625 Da
  • Monoisotopic mass420.323975 Da
  • ChemSpider ID71354059
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






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

(3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,6α,7α)-6-éthyl-3,7-dihydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3α,5β,6α,7α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 308.3±19.7 °C
Index of Refraction: 1.530
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 206.75
ACD/KOC (pH 5.5): 927.55
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 14.82
Polar Surface Area: 78 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 385.4±3.0 cm3

Click to predict properties on the Chemicalize site






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