ChemSpider 2D Image | N-(Methylsulfonyl)-N-phenyl-L-alanine | C10H13NO4S

N-(Methylsulfonyl)-N-phenyl-L-alanine

  • Molecular FormulaC10H13NO4S
  • Average mass243.279 Da
  • Monoisotopic mass243.056534 Da
  • ChemSpider ID29480603

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-(methylsulfonyl)-N-phenyl- [ACD/Index Name]
N-(Methylsulfonyl)-N-phenyl-L-alanin [German] [ACD/IUPAC Name]
N-(Methylsulfonyl)-N-phenyl-L-alanine [ACD/IUPAC Name]
N-(Méthylsulfonyl)-N-phényl-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-((Benzylsulfonyl)amino)propanoic acid
(2S)-2-(N-phenylmethanesulfonamido)propanoic acid
1610362-10-1 [RN]
474006-22-9 [RN]
99076-56-9 [RN]
MFCD02259513 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 416.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 205.5±29.3 °C
Index of Refraction: 1.591
Molar Refractivity: 59.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 176.5±3.0 cm3

Click to predict properties on the Chemicalize site


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