ChemSpider 2D Image | MFCD00190289 | C2313CH40O5


  • Molecular FormulaC2313CH40O5
  • Average mass409.564 Da
  • Monoisotopic mass409.290924 Da
  • ChemSpider ID32814843
  • defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,5β,7α,12α)-3,7,12-Trihydroxy(24-13C)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12-Trihydroxy(24-13C)cholan-24-säure [German] [ACD/IUPAC Name]
(3α,5β,7α,12β)-3,7,12-Trihydroxy(24-13C)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α,12β)-3,7,12-Trihydroxy(24-13C)cholan-24-säure [German] [ACD/IUPAC Name]
52886-36-9 [RN]
Acide (3α,5β,7α,12α)-3,7,12-trihydroxy(24-13C)cholan-24-oïque [French] [ACD/IUPAC Name]
Acide (3α,5β,7α,12β)-3,7,12-trihydroxy(24-13C)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic-24-13C acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)- [ACD/Index Name]
Cholan-24-oic-24-13C acid, 3,7,12-trihydroxy-, (3α,5β,7α,12β)- [ACD/Index Name]
Cholic-24-13C Acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 344.8±3.0 cm3

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