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Search term: GHCZAUBVMUEKKP-XROMFQGDSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | {[(3alpha,5beta,7beta,8xi)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}acetate | C26H42NO5


  • Molecular FormulaC26H42NO5
  • Average mass448.616 Da
  • Monoisotopic mass448.306854 Da
  • ChemSpider ID58163499
  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

{[(3α,5β,7β,8ξ)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}acetat [German] [ACD/IUPAC Name]
{[(3α,5β,7β,8ξ)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}acetate [ACD/IUPAC Name]
{[(3α,5β,7β,8ξ)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}acétate [French] [ACD/IUPAC Name]
Glycine, N-[(3α,5β,7β,8ξ)-3,7-dihydroxy-24-oxocholan-24-yl]-, ion(1-) [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A N-acylglycinate that is the conjugate base of glycoursodeoxycholic acid. obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:132030

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

Boiling Point: 655.6±40.0 °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±27.3 °C
Index of Refraction:
Molar Refractivity:
#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): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Surface Tension:
Molar Volume:

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