ChemSpider 2D Image | (2S)-2-{[(2S)-2-Hydroxypropanoyl]amino}-3-phenylpropanoate | C12H14NO4

(2S)-2-{[(2S)-2-Hydroxypropanoyl]amino}-3-phenylpropanoate

  • Molecular FormulaC12H14NO4
  • Average mass236.244 Da
  • Monoisotopic mass236.092834 Da
  • ChemSpider ID128920089

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{[(2S)-2-Hydroxypropanoyl]amino}-3-phenylpropanoat [German] [ACD/IUPAC Name]
(2S)-2-{[(2S)-2-Hydroxypropanoyl]amino}-3-phenylpropanoate [ACD/IUPAC Name]
(2S)-2-{[(2S)-2-Hydroxypropanoyl]amino}-3-phénylpropanoate [French] [ACD/IUPAC Name]
L-Phenylalanine, N-[(2S)-2-hydroxy-1-oxopropyl]-, ion(1-) [ACD/Index Name]
N-[(S)-lactoyl]-L-phenylalaninate
N-[(S)-lactoyl]-L-phenylalanine
N-[(S)-lactoyl]-L-phenylalanine anion
N-[(S)-lactoyl]-L-phenylalanine(1-)
N-L-lac-L-Phe anion
N-L-lac-L-Phe(1-)
  • Miscellaneous

    • Chemical Class:

      A N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(S)-lactoyl]-L-phenylalanine obtained from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:167456

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

Density:
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 259.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability:
Surface Tension:
Molar Volume:

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