ChemSpider 2D Image | (3alpha,5beta)-24-[(Carboxymethyl)amino]-24-oxocholan-3-yl sulfate | C26H42NO7S

(3α,5β)-24-[(Carboxymethyl)amino]-24-oxocholan-3-yl sulfate

  • Molecular FormulaC26H42NO7S
  • Average mass512.680 Da
  • Monoisotopic mass512.268738 Da
  • ChemSpider ID391394

  • 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-[(Carboxymethyl)amino]-24-oxocholan-3-yl sulfate [ACD/IUPAC Name]
(3α,5β)-24-[(Carboxymethyl)amino]-24-oxocholan-3-ylsulfat [German] [ACD/IUPAC Name]
Glycine, N-[(3α,5β)-24-oxo-3-(sulfooxy)cholan-24-yl]-, ion(1-) [ACD/Index Name]
Sulfate de (3α,5β)-24-[(carboxyméthyl)amino]-24-oxocholan-3-yle [French] [ACD/IUPAC Name]
15324-64-8 [RN]
Glycolithocholate 3-sulfate
Sulfoglycolithocholate

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

C11301 [DBID]

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: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

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