ChemSpider 2D Image | {[(3alpha,5beta)-3-Hydroxy-7,24-dioxocholan-24-yl]amino}acetatato | C26H40NO5

{[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino}acetatato

  • Molecular FormulaC26H40NO5
  • Average mass446.600 Da
  • Monoisotopic mass446.291199 Da
  • ChemSpider ID76963011

  • 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-7,24-dioxocholan-24-yl]amino}acetat [German] [ACD/IUPAC Name]
{[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino}acetatato [ACD/IUPAC Name]
{[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino}acétate [French] [ACD/IUPAC Name]
Glycinato, N-[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]-, ion(1-) [ACD/Index Name]
{[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]amino}acetate
7-oxoglycolithocholate
N-(3α-hydroxy-7-oxo-5β-cholan-24-oyl)glycinate

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

Density:
Boiling Point: 655.1±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: 350.0±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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