ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,17xi)-3,12-Dioxocholan-24-oic acid | C24H36O4

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,12-Dioxocholan-24-oic acid

  • Molecular FormulaC24H36O4
  • Average mass388.540 Da
  • Monoisotopic mass388.261353 Da
  • ChemSpider ID22889892

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,12-Dioxocholan-24-oic acid [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,12-Dioxocholan-24-säure [German] [ACD/IUPAC Name]
Acide (8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,12-dioxocholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,12-dioxo-, (8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [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: 544.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 297.3±22.4 °C
Index of Refraction: 1.528
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 64.01
ACD/KOC (pH 5.5): 396.98
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 6.32
Polar Surface Area: 71 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 346.9±3.0 cm3

Click to predict properties on the Chemicalize site


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