ChemSpider 2D Image | glycochenodeoxycholic acid 7-sulfate | C26H43NO8S

glycochenodeoxycholic acid 7-sulfate

  • Molecular FormulaC26H43NO8S
  • Average mass529.687 Da
  • Monoisotopic mass529.270935 Da
  • ChemSpider ID10128500
  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Glycine, N-[(3α,5β,7α)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]- [ACD/Index Name]
glycine, N-[(3α,5β,7α,8ξ)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-
glycochenodeoxycholic acid 7-sulfate
N-[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,5β,7α)-3-Hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]glycine [French] [ACD/IUPAC Name]
[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyl-9-(sulfooxy)tetracyclo[,7.011,15]heptadecan-14-yl]pentanamido]acetic acid
2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyl-9-(sulfooxy)tetracyclo[,7.011,15]heptadecan-14-yl]pentanamido]acetic acid

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

C15559 [DBID]

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): -3.35
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: 159 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

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