ChemSpider 2D Image | Methyl N-[(4-methylphenyl)sulfonyl]-L-threonylglycinate | C14H20N2O6S

Methyl N-[(4-methylphenyl)sulfonyl]-L-threonylglycinate

  • Molecular FormulaC14H20N2O6S
  • Average mass344.383 Da
  • Monoisotopic mass344.104218 Da
  • ChemSpider ID58808358

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycine, N-[(4-methylphenyl)sulfonyl]-L-threonyl-, methyl ester [ACD/Index Name]
Methyl N-[(4-methylphenyl)sulfonyl]-L-threonylglycinate [ACD/IUPAC Name]
MethylN-[(4-methylphenyl)sulfonyl]-L-threonylglycinat [German] [ACD/IUPAC Name]
N-[(4-Méthylphényl)sulfonyl]-L-thréonylglycinate de méthyle [French] [ACD/IUPAC Name]
151656-28-9 [RN]
Methyl 2-((2S,3R)-3-hydroxy-2-(4-methylphenylsulfonamido)butanamido)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.93
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 39.91
Polar Surface Area: 130 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 263.0±3.0 cm3

Click to predict properties on the Chemicalize site


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