ChemSpider 2D Image | deoxycholic acid glycine conjugate | C26H43NO5

deoxycholic acid glycine conjugate

  • Molecular FormulaC26H43NO5
  • Average mass449.623 Da
  • Monoisotopic mass449.314117 Da
  • ChemSpider ID17215983
  • defined stereocentres - 7 of 10 defined stereocentres


More details:






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

deoxycholic acid glycine conjugate
360-65-6 [RN]
Glycine, N-[(3α,5β,8ξ,9ξ,12α,14ξ)-3,12-dihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
N-[(3α,5β,8ξ,9ξ,12α,14ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,5β,8ξ,9ξ,12α,14ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,5β,8ξ,9ξ,12α,14ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
deoxycholylglycine
Deoxyglycocholate
Deoxyglycocholic acid
glycodeoxycholate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 655.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 350.3±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 386.8±3.0 cm3

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