ChemSpider 2D Image | N-(1-Ethoxy-1-oxo-4-phenyl-2-butanyl)-L-(O,2,3,3,3-~2~H_5_)alanine | C15H16D5NO4

N-(1-Ethoxy-1-oxo-4-phenyl-2-butanyl)-L-(O,2,3,3,3-2H5)alanine

  • Molecular FormulaC15H16D5NO4
  • Average mass284.362 Da
  • Monoisotopic mass284.178436 Da
  • ChemSpider ID114395025

  • defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Benzenebutanoic acid, α-[[(1S)-1-(carboxy-d)ethyl-1,2,2,2-d4]amino]-, ethyl ester [ACD/Index Name]
N-(1-Ethoxy-1-oxo-4-phenyl-2-butanyl)-L-(O,2,3,3,3-2H5)alanin [German] [ACD/IUPAC Name]
N-(1-Ethoxy-1-oxo-4-phenyl-2-butanyl)-L-(O,2,3,3,3-2H5)alanine [ACD/IUPAC Name]
N-(1-Éthoxy-1-oxo-4-phényl-2-butanyl)-L-(O,2,3,3,3-2H5)alanine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 441.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.6±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

Click to predict properties on the Chemicalize site


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