ChemSpider 2D Image | N-[(3beta,5alpha,6beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha,20S)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine | C26H43NO5

N-[(3β,5α,6β,8α,9β,10α,13α,14β,17α,20S)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine

  • Molecular FormulaC26H43NO5
  • Average mass449.623 Da
  • Monoisotopic mass449.314117 Da
  • ChemSpider ID68026179

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Glycine, N-[(3β,5α,6β,8α,9β,10α,13α,14β,17α,20S)-3,6-dihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
N-[(3β,5α,6β,8α,9β,10α,13α,14β,17α,20S)-3,6-Dihydroxy-24-oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3β,5α,6β,8α,9β,10α,13α,14β,17α,20S)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3β,5α,6β,8α,9β,10α,13α,14β,17α,20S)-3,6-Dihydroxy-24-oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
Glycohyodeoxycholic acid

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

Density: 1.2±0.1 g/cm3
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: 1.546
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 386.8±3.0 cm3

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