ChemSpider 2D Image | 2-{[(5beta)-3,7,12,24-Tetraoxocholan-24-yl]amino}ethanesulfonic acid | C26H39NO7S

2-{[(5β)-3,7,12,24-Tetraoxocholan-24-yl]amino}ethanesulfonic acid

  • Molecular FormulaC26H39NO7S
  • Average mass509.655 Da
  • Monoisotopic mass509.244720 Da
  • ChemSpider ID108778

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-{[(5β)-3,7,12,24-Tetraoxocholan-24-yl]amino}ethanesulfonic acid [ACD/IUPAC Name]
2-{[(5β)-3,7,12,24-Tetraoxocholan-24-yl]amino}ethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-{[(5β)-3,7,12,24-tétraoxocholan-24-yl]amino}éthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[[(5β)-3,7,12,24-tetraoxocholan-24-yl]amino]- [ACD/Index Name]
[517-37-3] [RN]
517-37-3 [RN]
57011-24-2 [RN]
5-β-CHOLANIC ACID-3,7,12-TRIONE N-(2-SULPHOETHYL)-AMIDE
Ethanesulfonic acid, 2-(((5β)-3,7,12,24-tetraoxocholan-24-yl)amino)-
T-1260
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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: 1.546
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 406.2±3.0 cm3

Click to predict properties on the Chemicalize site


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