ChemSpider 2D Image | {[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]amino}acetate | C26H42NO4

{[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]amino}acetate

  • Molecular FormulaC26H42NO4
  • Average mass432.616 Da
  • Monoisotopic mass432.311920 Da
  • ChemSpider ID26331787

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

{[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]amino}acetat [German] [ACD/IUPAC Name]
{[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]amino}acetate [ACD/IUPAC Name]
{[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl]amino}acétate [French] [ACD/IUPAC Name]
Glycine, N-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-, ion(1-) [ACD/Index Name]
Glycolithocholate
glycolithocholatelycolithocholate
N-(3α-hydroxy-5β-cholan-24-oyl)glycinate
  • Miscellaneous

    • Chemical Class:

      A N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3. ChEBI CHEBI:60008

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

Density:
Boiling Point: 619.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 328.6±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 19.14
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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