ChemSpider 2D Image | (3alpha,5beta,7alpha)-3-Hydroxy-7-(sulfooxy)cholan-24-oic acid | C24H40O7S

(3α,5β,7α)-3-Hydroxy-7-(sulfooxy)cholan-24-oic acid

  • Molecular FormulaC24H40O7S
  • Average mass472.635 Da
  • Monoisotopic mass472.249481 Da
  • ChemSpider ID24850139

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,7α)-3-Hydroxy-7-(sulfooxy)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α)-3-Hydroxy-7-(sulfooxy)cholan-24-säure [German] [ACD/IUPAC Name]
59132-31-9 [RN]
Acide (3α,5β,7α)-3-hydroxy-7-(sulfooxy)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-hydroxy-7-(sulfooxy)-, (3α,5β,7α)- [ACD/Index Name]
(R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-7-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
3α,7α-Dihydroxy-5β-cholan-24-oic acid 7-sulfate
Chenodeoxycholic acid sulfate
PUBCHEM_20849194

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: 1.569
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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