ChemSpider 2D Image | Methyl D-(2,3,4,5,6-~2~H_5_)phenylalaninate | C10H8D5NO2

Methyl D-(2,3,4,5,6-2H5)phenylalaninate

  • Molecular FormulaC10H8D5NO2
  • Average mass184.247 Da
  • Monoisotopic mass184.126007 Da
  • ChemSpider ID78361986

  • 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

D-(2,3,4,5,6-2H5)Phénylalaninate de méthyle [French] [ACD/IUPAC Name]
D-Phenylalanine-2,3,4,5,6-d5, methyl ester [ACD/Index Name]
Methyl D-(2,3,4,5,6-2H5)phenylalaninate [ACD/IUPAC Name]
Methyl-D-(2,3,4,5,6-2H5)phenylalaninat [German] [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: 264.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 126.0±19.3 °C
Index of Refraction: 1.531
Molar Refractivity: 50.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 57.08
Polar Surface Area: 52 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 162.8±3.0 cm3

Click to predict properties on the Chemicalize site


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