ChemSpider 2D Image | Chenodeoxycholic acid 3-sulfate | C24H40O7S

Chenodeoxycholic acid 3-sulfate

  • Molecular FormulaC24H40O7S
  • Average mass472.635 Da
  • Monoisotopic mass472.249481 Da
  • ChemSpider ID13628372
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α,5β,7α)-7-Hydroxy-3-(sulfooxy)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α)-7-Hydroxy-3-(sulfooxy)cholan-24-säure [German] [ACD/IUPAC Name]
59132-32-0 [RN]
Acide (3α,5β,7α)-7-hydroxy-3-(sulfooxy)cholan-24-oïque [French] [ACD/IUPAC Name]
Chenodeoxycholic acid 3-sulfate
Cholan-24-oic acid, 3,7-dihydroxy-, hydrogen sulfate, (3α,5β,7α)-
Cholan-24-oic acid, 7-hydroxy-3-(sulfooxy)-, (3α,5β,7α)- [ACD/Index Name]
3-Sulfochenodeoxycholate
3-Sulfochenodeoxycholic acid
Chenodeoxycholic acid 3a-sulfate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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: 1.569
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 366.8±5.0 cm3

Click to predict properties on the Chemicalize site






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