ChemSpider 2D Image | N-[(5beta,9xi,14xi,17xi,20xi)-3-Hydroxy-24-oxocholan-24-yl]glycine | C26H43NO4

N-[(5β,9ξ,14ξ,17ξ,20ξ)-3-Hydroxy-24-oxocholan-24-yl]glycine

  • Molecular FormulaC26H43NO4
  • Average mass433.624 Da
  • Monoisotopic mass433.319214 Da
  • ChemSpider ID29790401

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

Glycine, N-[(5β,9ξ,14ξ,17ξ,20ξ)-3-hydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
N-[(5β,9ξ,14ξ,17ξ,20ξ)-3-Hydroxy-24-oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(5β,9ξ,14ξ,17ξ,20ξ)-3-Hydroxy-24-oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(5β,9ξ,14ξ,17ξ,20ξ)-3-Hydroxy-24-oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
474-74-8 [RN]
Lithocholylglycine
N-[(3a,5b)-3-Hydroxy-24-oxocholan-24-yl]glycine

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

Density: 1.1±0.1 g/cm3
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: 1.533
Molar Refractivity: 120.9±0.3 cm3
#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: 87 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

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