ChemSpider 2D Image | Methyl (3alpha,5beta,7alpha)-3,7-dihydroxy(3,4-~13~C_2_)cholan-24-oate | C2313C2H42O4

Methyl (3α,5β,7α)-3,7-dihydroxy(3,4-13C2)cholan-24-oate

  • Molecular FormulaC2313C2H42O4
  • Average mass408.584 Da
  • Monoisotopic mass408.315033 Da
  • ChemSpider ID9212153

  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,5β,7α)-3,7-Dihydroxy(3,4-13C2)cholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic-3,4-13C2 acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7α)- [ACD/Index Name]
Methyl (3α,5β,7α)-3,7-dihydroxy(3,4-13C2)cholan-24-oate [ACD/IUPAC Name]
Methyl-(3α,5β,7α)-3,7-dihydroxy(3,4-13C2)cholan-24-oat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.526
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 45.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 373.2±3.0 cm3

Click to predict properties on the Chemicalize site


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