ChemSpider 2D Image | (~2~H_3_)Methyl D-alpha-aspartyl-D-phenylalaninate | C14H15D3N2O5

(2H3)Methyl D-α-aspartyl-D-phenylalaninate

  • Molecular FormulaC14H15D3N2O5
  • Average mass297.322 Da
  • Monoisotopic mass297.140411 Da
  • ChemSpider ID78076125

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl D-α-aspartyl-D-phenylalaninate [ACD/IUPAC Name]
(2H3)Methyl-D-α-asparagyl-D-phenylalaninat [German] [ACD/IUPAC Name]
D-Phenylalanine, D-α-aspartyl-, methyl-d3 ester [ACD/Index Name]
D-α-Aspartyl-D-phénylalaninate de (2H3)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

Click to predict properties on the Chemicalize site


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