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Search term: JBMBBHHSTGUNBR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl N-(methylsulfonyl)-L-valinate | C7H15NO4S

Methyl N-(methylsulfonyl)-L-valinate

  • Molecular FormulaC7H15NO4S
  • Average mass209.263 Da
  • Monoisotopic mass209.072174 Da
  • ChemSpider ID31662469

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-(methylsulfonyl)-, methyl ester [ACD/Index Name]
Methyl N-(methylsulfonyl)-L-valinate [ACD/IUPAC Name]
Methyl-N-(methylsulfonyl)-L-valinat [German] [ACD/IUPAC Name]
N-(Méthylsulfonyl)-L-valinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 291.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.4±27.9 °C
Index of Refraction: 1.459
Molar Refractivity: 48.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.03
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 36.01
Polar Surface Area: 81 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 178.2±3.0 cm3

Click to predict properties on the Chemicalize site


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