ChemSpider 2D Image | (3alpha,5alpha,6alpha,8alpha,9beta,13alpha,14beta,17xi)-3,6-Dihydroxycholan-24-oic acid | C24H40O4

(3α,5α,6α,8α,9β,13α,14β,17ξ)-3,6-Dihydroxycholan-24-oic acid

  • Molecular FormulaC24H40O4
  • Average mass392.572 Da
  • Monoisotopic mass392.292664 Da
  • ChemSpider ID24541014

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,5α,6α,8α,9β,13α,14β,17ξ)-3,6-Dihydroxycholan-24-oic acid [ACD/IUPAC Name]
(3α,5α,6α,8α,9β,13α,14β,17ξ)-3,6-Dihydroxycholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5α,6α,8α,9β,13α,14β,17ξ)-3,6-dihydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,6-dihydroxy-, (3α,5α,6α,8α,9β,13α,14β,17ξ)- [ACD/Index Name]
(4R)-4-((7S,8S,15S,1R,2R,5R,10R,11R)-5,8-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
Hyodeoxycholic acid [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 298.8±19.7 °C
Index of Refraction: 1.543
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 76.11
ACD/KOC (pH 5.5): 453.73
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 7.25
Polar Surface Area: 78 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

Click to predict properties on the Chemicalize site


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