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

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

  • Molecular FormulaC24H40O7S
  • Average mass472.635 Da
  • Monoisotopic mass472.249481 Da
  • ChemSpider ID76714294
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α,5β,7β)-3-Hydroxy-7-(sulfooxy)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7β)-3-Hydroxy-7-(sulfooxy)cholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,7β)-3-hydroxy-7-(sulfooxy)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-hydroxy-7-(sulfooxy)-, (3α,5β,7β)- [ACD/Index Name]

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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