ChemSpider 2D Image | glycohyocholic acid | C26H43NO6

glycohyocholic acid

  • Molecular FormulaC26H43NO6
  • Average mass465.623 Da
  • Monoisotopic mass465.309052 Da
  • ChemSpider ID57537204
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

32747-08-3 [RN]
Glycine, N-[(3α,5β,6α)-3,6,7-trihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
glycohyocholic acid
N-[(3α,5β,6α)-3,6,7-Trihydroxy-24-oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,5β,6α)-3,6,7-Trihydroxy-24-oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,5β,6α)-3,6,7-Trihydroxy-24-oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133176
hyocholic acid-glycine conjugate
N-(3α,6α,7α-trihydroxy-5β-cholan-24-oyl)glycine
N-[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]-glycine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 383.8±3.0 cm3

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