ChemSpider 2D Image | glycodeoxycholic acid 3-sulfate | C26H43NO8S

glycodeoxycholic acid 3-sulfate

  • Molecular FormulaC26H43NO8S
  • Average mass529.687 Da
  • Monoisotopic mass529.270935 Da
  • ChemSpider ID58827480
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

Glycine, N-[(3α,5β,12α)-12-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]- [ACD/Index Name]
glycodeoxycholic acid 3-sulfate
N-[(3α,5β,12α)-12-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,5β,12α)-12-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,5β,12α)-12-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine [French] [ACD/IUPAC Name]
glycodeoxycholic acid sulfate
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133678
N-[12α-hydroxy-24-oxo-3α-(sulfooxy)-5β-cholan-24-yl]glycine
sulfoglycodeoxycholic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

Click to predict properties on the Chemicalize site






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