ChemSpider 2D Image | Methyl N-(3,3-dimethylbutyl)-D-alpha-aspartyl-L-(2,3,4,5,6-~2~H_5_)phenylalaninate | C20H25D5N2O5

Methyl N-(3,3-dimethylbutyl)-D-α-aspartyl-L-(2,3,4,5,6-2H5)phenylalaninate

  • Molecular FormulaC20H25D5N2O5
  • Average mass383.493 Da
  • Monoisotopic mass383.246857 Da
  • ChemSpider ID107441761

  • 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

L-Phenylalanine-2,3,4,5,6-d5, N-(3,3-dimethylbutyl)-D-α-aspartyl-, methyl ester [ACD/Index Name]
Methyl N-(3,3-dimethylbutyl)-D-α-aspartyl-L-(2,3,4,5,6-2H5)phenylalaninate [ACD/IUPAC Name]
Methyl-N-(3,3-dimethylbutyl)-D-α-asparagyl-L-(2,3,4,5,6-2H5)phenylalaninat [German] [ACD/IUPAC Name]
N-(3,3-Diméthylbutyl)-D-α-aspartyl-L-(2,3,4,5,6-2H5)phénylalaninate de méthyle [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: 565.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±30.1 °C
Index of Refraction: 1.522
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.99
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.46
Polar Surface Area: 105 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 334.0±3.0 cm3

Click to predict properties on the Chemicalize site


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