ChemSpider 2D Image | 3-hydroxy-4-(2-methylsulfonylethylsulfanyl)butanoic acid | C7H14O5S2

3-hydroxy-4-(2-methylsulfonylethylsulfanyl)butanoic acid

  • Molecular FormulaC7H14O5S2
  • Average mass242.313 Da
  • Monoisotopic mass242.028259 Da
  • ChemSpider ID45114855

More details:

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

3-Hydroxy-4-{[2-(methylsulfonyl)ethyl]sulfanyl}butansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-4-{[2-(méthylsulfonyl)éthyl]sulfanyl}butanoïque [French] [ACD/IUPAC 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: 558.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 291.3±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 54.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 171.6±3.0 cm3

Click to predict properties on the Chemicalize site


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