ChemSpider 2D Image | 2-[(3,12,16-Trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonic acid | C26H45NO7S

2-[(3,12,16-Trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonic acid

  • Molecular FormulaC26H45NO7S
  • Average mass515.703 Da
  • Monoisotopic mass515.291687 Da
  • ChemSpider ID4479133

More details:

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

2-[(3,12,16-Trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonic acid [ACD/IUPAC Name]
2-[(3,12,16-Trihydroxy-24-oxocholan-24-yl)amino]ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(3,12,16-trihydroxy-24-oxocholan-24-yl)amino]éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[(3,12,16-trihydroxy-24-oxocholan-24-yl)amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 407.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement