ChemSpider 2D Image | 2-Methyl-2-propanyl L-(2,3,4,5,6-~2~H_5_)phenylalaninate | C13H14D5NO2

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

  • Molecular FormulaC13H14D5NO2
  • Average mass226.326 Da
  • Monoisotopic mass226.172958 Da
  • ChemSpider ID48060365

  • 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

2-Methyl-2-propanyl L-(2,3,4,5,6-2H5)phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-L-(2,3,4,5,6-2H5)phenylalaninat [German] [ACD/IUPAC Name]
L-(2,3,4,5,6-2H5)Phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
L-Phenylalanine-2,3,4,5,6-d5, 1,1-dimethylethyl ester [ACD/Index Name]
1177315-89-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 303.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 158.2±19.9 °C
Index of Refraction: 1.517
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.46
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 23.35
ACD/KOC (pH 7.4): 296.60
Polar Surface Area: 52 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement