ChemSpider 2D Image | N-[(5beta,8xi,9xi,14xi,17xi,20xi)-24-Oxocholan-24-yl]glycine | C26H43NO3

N-[(5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24-Oxocholan-24-yl]glycine

  • Molecular FormulaC26H43NO3
  • Average mass417.625 Da
  • Monoisotopic mass417.324280 Da
  • ChemSpider ID61708778

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

Glycine, N-[(5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24-oxocholan-24-yl]- [ACD/Index Name]
N-[(5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24-Oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24-Oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(5β,8ξ,9ξ,14ξ,17ξ,20ξ)-24-Oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
5�-CHOLANIC ACID N-(CARBOXYMETHYL)-AMIDE
Glycoursocholanic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 307.2±25.4 °C
Index of Refraction: 1.520
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 103.82
ACD/KOC (pH 5.5): 225.30
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 66 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 392.8±3.0 cm3

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