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

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

  • Molecular FormulaC26H44O4
  • Average mass420.625 Da
  • Monoisotopic mass420.323975 Da
  • ChemSpider ID24824111

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oic acid [ACD/IUPAC Name]
(3α,7α)-6-Ethyl-3,7-dihydroxycholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,7α)-6-éthyl-3,7-dihydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3α,7α)- [ACD/Index Name]
(3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholan-24-oic acid [ACD/IUPAC Name]
3a, 7a -dihydroxy-6a -ethyl-5b-cholan-24-oic acid
459789-99-2 [RN]
6-ethylchenodeoxycholic acid
6-ethylchenodeoxycholic acid??
6-ethylchenodeoxycholicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
INT-747 [DBID]

    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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