ChemSpider 2D Image | Methyl N-[3-methyl-3-(~13~C)methyl(3,4-~13~C_2_)butyl]-L-alpha-aspartyl-D-phenylalaninate | C1713C3H30N2O5

Methyl N-[3-methyl-3-(13C)methyl(3,4-13C2)butyl]-L-α-aspartyl-D-phenylalaninate

  • Molecular FormulaC1713C3H30N2O5
  • Average mass381.441 Da
  • Monoisotopic mass381.225525 Da
  • ChemSpider ID107447523

  • 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

D-Phenylalanine, N-[3-methyl-3-(methyl-13C)butyl-3,4-13C2]-L-α-aspartyl-, methyl ester [ACD/Index Name]
Methyl N-[3-methyl-3-(13C)methyl(3,4-13C2)butyl]-L-α-aspartyl-D-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[3-methyl-3-(13C)methyl(3,4-13C2)butyl]-L-α-asparagyl-D-phenylalaninat [German] [ACD/IUPAC Name]
N-[3-Méthyl-3-(13C)méthyl(3,4-13C2)butyl]-L-α-aspartyl-D-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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


Advertisement