ChemSpider 2D Image | Ethyl N-[(2S)-3-(acetylsulfanyl)-2-(2-methylbenzyl)propanoyl]-D-methioninate | C20H29NO4S2

Ethyl N-[(2S)-3-(acetylsulfanyl)-2-(2-methylbenzyl)propanoyl]-D-methioninate

  • Molecular FormulaC20H29NO4S2
  • Average mass411.579 Da
  • Monoisotopic mass411.153809 Da
  • ChemSpider ID23171416
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

D-Methionine, N-[(2S)-3-(acetylthio)-2-[(2-methylphenyl)methyl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
Ethyl N-[(2S)-3-(acetylsulfanyl)-2-(2-methylbenzyl)propanoyl]-D-methioninate [ACD/IUPAC Name]
Ethyl-N-[(2S)-3-(acetylsulfanyl)-2-(2-methylbenzyl)propanoyl]-D-methioninat [German] [ACD/IUPAC Name]
N-[(2S)-3-(Acétylsulfanyl)-2-(2-méthylbenzyl)propanoyl]-D-méthioninate d'éthyle [French] [ACD/IUPAC Name]
(R)-2-((S)-2-Acetylsulfanylmethyl-3-o-tolyl-propionylamino)-4-methylsulfanyl-butyric acid ethyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 597.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.0±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 729.85
ACD/KOC (pH 5.5): 3900.37
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 729.85
ACD/KOC (pH 7.4): 3900.37
Polar Surface Area: 123 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 355.3±3.0 cm3

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