ChemSpider 2D Image | 3,12-Bis(sulfooxy)cholan-24-oic acid | C24H40O10S2

3,12-Bis(sulfooxy)cholan-24-oic acid

  • Molecular FormulaC24H40O10S2
  • Average mass552.698 Da
  • Monoisotopic mass552.206299 Da
  • ChemSpider ID21428962

More details:

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

3,12-Bis(sulfooxy)cholan-24-oic acid [ACD/IUPAC Name]
3,12-Bis(sulfooxy)cholan-24-säure [German] [ACD/IUPAC Name]
4-[10,13-Dimethyl-3,12-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
4-[10,13-Dimethyl-3,12-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentansäure [German]
Acide 3,12-bis(sulfooxy)cholan-24-oïque [French] [ACD/IUPAC Name]
Acide 4-[10,13-diméthyl-3,12-bis(sulfooxy)hexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]pentanoïque [French]
Cholan-24-oic acid, 3,12-bis(sulfooxy)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.20
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 391.7±5.0 cm3

Click to predict properties on the Chemicalize site


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