ChemSpider 2D Image | N-(Ethylsulfonyl)-L-alanine | C5H11NO4S

N-(Ethylsulfonyl)-L-alanine

  • Molecular FormulaC5H11NO4S
  • Average mass181.210 Da
  • Monoisotopic mass181.040878 Da
  • ChemSpider ID25076989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-(ethylsulfonyl)- [ACD/Index Name]
N-(Ethylsulfonyl)-L-alanin [German] [ACD/IUPAC Name]
N-(Ethylsulfonyl)-L-alanine [ACD/IUPAC Name]
N-(Éthylsulfonyl)-L-alanine [French] [ACD/IUPAC Name]
(S)-2-(ethylsulfonamido)propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 342.0±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 160.6±28.4 °C
Index of Refraction: 1.490
Molar Refractivity: 39.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 135.9±3.0 cm3

Click to predict properties on the Chemicalize site


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