ChemSpider 2D Image | {[(3alpha,5beta,7alpha)-3-Hydroxy-24-oxo-7-(sulfonatooxy)cholan-24-yl]amino}acetate | C26H41NO8S

{[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfonatooxy)cholan-24-yl]amino}acetate

  • Molecular FormulaC26H41NO8S
  • Average mass527.672 Da
  • Monoisotopic mass527.256409 Da
  • ChemSpider ID26331414

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

{[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfonatooxy)cholan-24-yl]amino}acetat [German] [ACD/IUPAC Name]
{[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfonatooxy)cholan-24-yl]amino}acetate [ACD/IUPAC Name]
{[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfonatooxy)cholan-24-yl]amino}acétate [French] [ACD/IUPAC Name]
Glycine, N-[(3α,5β,7α)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-, ion(2-) [ACD/Index Name]
Glycochenodeoxycholate 7-sulfate
glycochenodeoxycholate 7-sulfate(2-)
glycochenodeoxycholate sulfate
N-[3α-hydroxy-24-oxo-7α-(sulfonatooxy)-5β-cholan-24-yl]glycinate
  • Miscellaneous

    • Chemical Class:

      A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycochenodeoxycholic acid 7-sulfate. ChEBI CHEBI:58877

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: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability:
Surface Tension:
Molar Volume:

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