Properties of n-(Benzyloxycarbonyl)-L-aspartyl-L-phenylalanine methyl ester

Identification

• Atoms
  C: 22, H: 24, N: 2, O: 7
• CAS
  33605-72-0
• Formula
  C22H24N2O7
• ID
  33605-72-0
• InChI
  C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-20(27)17(13-19(25)26)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,27)(H,24,29)(H,25,26)/t17-,18-/m0/s1
• InChI Key
  YSCNREZXFSZAQO-ROUUACIJSA-N
• IUPAC Name
  (3s)-4-[[(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
• Molecular Weight (kg)
  428.435
• Phase
  s
• PubChem ID
  1.0160e+7
• SMILES
  COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](CC(=O)O)N=C(O)OCc1ccccc1
• SynonymsView 23 Synonyms

Physical Properties

• Acentric factor
• Critical pressure (bar)
  14.8958
• Critical temperature (°C)
  1361.09
• Critical volume (m³/kmol)
  0
• Dipole moment
• Melting temperature (°C)
  122
• Normal boiling temperature (°C)
  1045.92

State-dependent Properties

• Compressibility factor
• Density (kg/m³)
• Dynamic viscosity (cP)
  0
• Enthalpy of vaporization (mass) (kJ)
  0
• Enthalpy of vaporization (molar) (kJ/kmol)
• Gibbs free energy (kJ/kmol)
  0
• Joule–Thomson coefficient
• Kinematic viscosity
• Molar enthalpy (kJ/kmol)
  0
• Molar entropy (kJ/(kmol·K))
  0
• Molar heat capacity (kJ/(kmol·K))
  488.185
• Molar volume (m³/kmol)
  0
• Parachor
• Poynting correction factor
• Prandtl number
• Saturation pressure (bar)
  1.9027e-21
• Saturation temperature (°C)
  1045.92
• Solubility parameter
• Specific enthalpy (kJ)
  0
• Specific entropy (kJ/kg·K)
  0
• Specific gravity
• Specific heat capacity (kJ/kg·K)
  1.13946
• Surface tension
  0.0661192
• Thermal conductivity
• Thermal diffusivity

Safety Properties

• Autoignition temperature (°C)
  -273.15
• Flash point temperature (°C)
  -273.15
• Lower flammability limit
  0.00467608
• Upper flammability limit
  0.0297568

Environmental Properties

• Global warming potential
• Ozone depletion potential

Failed Properties:

• API gravityFailed