ChemSpider 2D Image | {[(3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxocholan-24-yl]amino}acetate | C26H42NO5

{[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino}acetate

  • Molecular FormulaC26H42NO5
  • Average mass448.616 Da
  • Monoisotopic mass448.306854 Da
  • ChemSpider ID34448640
  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

{[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino}acetat [German] [ACD/IUPAC Name]
{[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino}acetate [ACD/IUPAC Name]
{[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino}acétate [French] [ACD/IUPAC Name]
Glycine, N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-, ion(1-) [ACD/Index Name]
glycodeoxycholate
glycodeoxycholatelycodeoxycholate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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:
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): 0.16
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: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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