ChemSpider 2D Image | 6alpha,20xi-murideoxycholic acid | C24H40O4

6α,20ξ-murideoxycholic acid

  • Molecular FormulaC24H40O4
  • Average mass392.572 Da
  • Monoisotopic mass392.292664 Da
  • ChemSpider ID23229080

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,5β,6α,20ξ)-3,6-Dihydroxycholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,6α,20ξ)-3,6-Dihydroxycholan-24-säure [German] [ACD/IUPAC Name]
6α,20ξ-murideoxycholic acid
Acide (3α,5β,6α,20ξ)-3,6-dihydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,6-dihydroxy-, (3α,5β,6α,20ξ)- [ACD/Index Name]
3α,6α-dihydroxy-5β,20ξ-cholan-24-oic acid
4-((3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid

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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