ChemSpider 2D Image | (~2~H_5_)Phenylmethyl N-[(2R)-3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate | C21H18D5NO4S

(2H5)Phenylmethyl N-[(2R)-3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate

  • Molecular FormulaC21H18D5NO4S
  • Average mass390.507 Da
  • Monoisotopic mass390.166168 Da
  • ChemSpider ID111314269

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Phenylmethyl N-[(2R)-3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate [ACD/IUPAC Name]
(2H5)Phenylmethyl-N-[(2R)-3-(acetylsulfanyl)-2-benzylpropanoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(2R)-3-(acetylthio)-1-oxo-2-(phenylmethyl)propyl]-, phenyl-d5-methyl ester [ACD/Index Name]
N-[(2R)-3-(Acétylsulfanyl)-2-benzylpropanoyl]glycinate de (2H5)phénylméthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.2±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.65
ACD/KOC (pH 5.5): 1447.00
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.65
ACD/KOC (pH 7.4): 1447.00
Polar Surface Area: 98 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 319.4±3.0 cm3

Click to predict properties on the Chemicalize site


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