ChemSpider 2D Image | 3-[(Methylsulfinyl)methyl]-L-valine | C7H15NO3S

3-[(Methylsulfinyl)methyl]-L-valine

  • Molecular FormulaC7H15NO3S
  • Average mass193.264 Da
  • Monoisotopic mass193.077271 Da
  • ChemSpider ID29322228
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

3-[(Methylsulfinyl)methyl]-L-valin [German] [ACD/IUPAC Name]
3-[(Methylsulfinyl)methyl]-L-valine [ACD/IUPAC Name]
3-[(Méthylsulfinyl)méthyl]-L-valine [French] [ACD/IUPAC Name]
L-Valine, 3-[(methylsulfinyl)methyl]- [ACD/Index Name]
β,β-dimethylmethionine sulfoxide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 415.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 205.3±27.3 °C
Index of Refraction: 1.548
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 152.3±3.0 cm3

Click to predict properties on the Chemicalize site






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