ChemSpider 2D Image | 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid | C24H42O5S

3α,7α-dihydroxy-5β-cholane-24-sulfonic acid

  • Molecular FormulaC24H42O5S
  • Average mass442.652 Da
  • Monoisotopic mass442.275299 Da
  • ChemSpider ID23326191
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α,5β,7α)-3,7-Dihydroxycholan-24-sulfonsäure [German] [ACD/IUPAC Name]
(3α,5β,7α)-3,7-Dihydroxycholane-24-sulfonic acid [ACD/IUPAC Name]
3α,7α-dihydroxy-5β-cholane-24-sulfonic acid
Acide (3α,5β,7α)-3,7-dihydroxycholane-24-sulfonique [French] [ACD/IUPAC Name]
Cholane-24-sulfonic acid, 3,7-dihydroxy-, (3α,5β,7α)- [ACD/Index Name]
3,7α-dihydroxy-5β-cholane-24-sulfonate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL406923/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.549
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 371.8±3.0 cm3

Click to predict properties on the Chemicalize site






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