ChemSpider 2D Image | Ethyl N-{(2S)-2-benzyl-3-[(methylsulfonyl)oxy]propanoyl}glycinate | C15H21NO6S

Ethyl N-{(2S)-2-benzyl-3-[(methylsulfonyl)oxy]propanoyl}glycinate

  • Molecular FormulaC15H21NO6S
  • Average mass343.395 Da
  • Monoisotopic mass343.108948 Da
  • ChemSpider ID32057825

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethyl N-{(2S)-2-benzyl-3-[(methylsulfonyl)oxy]propanoyl}glycinate [ACD/IUPAC Name]
Ethyl-N-{(2S)-2-benzyl-3-[(methylsulfonyl)oxy]propanoyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(2S)-3-[(methylsulfonyl)oxy]-1-oxo-2-(phenylmethyl)propyl]-, ethyl ester [ACD/Index Name]
N-{(2S)-2-Benzyl-3-[(méthylsulfonyl)oxy]propanoyl}glycinate d'éthyle [French] [ACD/IUPAC Name]
(S)-Ethyl 2-(2-benzyl-3-((methylsulfonyl)oxy)propanamido)acetate
(s)-Ethyl-2-(2-((methylsulfonyloxy)Methyl)-3-Phenylpropanamido) Acetate
1314751-85-3 [RN]
ETHYL 2-[(2S)-2-BENZYL-3-(METHANESULFONYLOXY)PROPANAMIDO]ACETATE
MFCD28041167

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 119.22
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 119.22
Polar Surface Area: 107 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 275.0±3.0 cm3

Click to predict properties on the Chemicalize site


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