ChemSpider 2D Image | 2-[(3,7-Dihydroxy-24-oxocholan-24-yl)amino]ethyl hydrogen sulfate | C26H45NO7S

2-[(3,7-Dihydroxy-24-oxocholan-24-yl)amino]ethyl hydrogen sulfate

  • Molecular FormulaC26H45NO7S
  • Average mass515.703 Da
  • Monoisotopic mass515.291687 Da
  • ChemSpider ID13792

More details:






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

2-[(3,7-Dihydroxy-24-oxocholan-24-yl)amino]ethyl hydrogen sulfate [ACD/IUPAC Name]
2-[(3,7-Dihydroxy-24-oxocholan-24-yl)amino]ethylhydrogensulfat [German] [ACD/IUPAC Name]
Cholan-24-amide, 3,7-dihydroxy-N-[2-(sulfooxy)ethyl]- [ACD/Index Name]
Hydrogénosulfate de 2-[(3,7-dihydroxy-24-oxocholan-24-yl)amino]éthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.551
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 417.1±3.0 cm3

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