ChemSpider 2D Image | {[(3alpha,5beta)-24-Oxo-3-(sulfonatooxy)cholan-24-yl]amino}acetate | C26H41NO7S

{[(3α,5β)-24-Oxo-3-(sulfonatooxy)cholan-24-yl]amino}acetate

  • Molecular FormulaC26H41NO7S
  • Average mass511.672 Da
  • Monoisotopic mass511.261475 Da
  • ChemSpider ID26331786

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

{[(3α,5β)-24-Oxo-3-(sulfonatooxy)cholan-24-yl]amino}acetat [German] [ACD/IUPAC Name]
{[(3α,5β)-24-Oxo-3-(sulfonatooxy)cholan-24-yl]amino}acetate [ACD/IUPAC Name]
{[(3α,5β)-24-Oxo-3-(sulfonatooxy)cholan-24-yl]amino}acétate [French] [ACD/IUPAC Name]
Glycine, N-[(3α,5β)-24-oxo-3-(sulfooxy)cholan-24-yl]-, ion(2-) [ACD/Index Name]
Glycolithocholate sulfate
N-[3α-(sulfonatooxy)-5β-cholan-24-oyl]glycinate
Sulfoglycolithocholate
sulfoglycolithocholate(2-)
  • Miscellaneous

    • Chemical Class:

      A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species a; t pH 7.3. ChEBI CHEBI:60007
      A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species at pH 7.3. ChEBI CHEBI:60007

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability:
Surface Tension:
Molar Volume:

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