ChemSpider 2D Image | Methyl N-(methylsulfonyl)-L-alaninate | C5H11NO4S

Methyl N-(methylsulfonyl)-L-alaninate

  • Molecular FormulaC5H11NO4S
  • Average mass181.210 Da
  • Monoisotopic mass181.040878 Da
  • ChemSpider ID26053208

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

97482-28-5 [RN]
L-Alanine, N-(methylsulfonyl)-, methyl ester [ACD/Index Name]
methyl (2S)-2-methanesulfonamidopropanoate
Methyl N-(methylsulfonyl)-L-alaninate [ACD/IUPAC Name]
Methyl-N-(methylsulfonyl)-L-alaninat [German] [ACD/IUPAC Name]
N-(Méthylsulfonyl)-L-alaninate de méthyle [French] [ACD/IUPAC Name]
methyl 2-methanesulfonamidopropanoate
MFCD12913198 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 267.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 115.5±27.9 °C
Index of Refraction: 1.458
Molar Refractivity: 39.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.06
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.82
Polar Surface Area: 81 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 144.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement