ChemSpider 2D Image | (2S)-2-Ammonio-5-{[(1R)-1-carboxylatoethyl]amino}-5-oxopentanoate | C8H13N2O5

(2S)-2-Ammonio-5-{[(1R)-1-carboxylatoethyl]amino}-5-oxopentanoate

  • Molecular FormulaC8H13N2O5
  • Average mass217.200 Da
  • Monoisotopic mass217.082993 Da
  • ChemSpider ID26330964

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Ammonio-5-{[(1R)-1-carboxylatoethyl]amino}-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(1R)-1-carboxylatoethyl]amino}-5-oxopentanoate [ACD/IUPAC Name]
(2S)-2-Ammonio-5-{[(1R)-1-carboxylatoéthyl]amino}-5-oxopentanoate [French] [ACD/IUPAC Name]
D-Alanine, L-γ-glutamyl-, inner salt, ion(1-) [ACD/Index Name]
(2S)-2-azaniumyl-5-{[(1R)-1-carboxylatoethyl]amino}-5-oxopentanoate
L-γ-glutamyl-D-alaninate anion
L-γ-glutamyl-D-alaninate(1-)
γ-L-glutamyl-D-alanine
  • Miscellaneous

    • Chemical Class:

      The conjugate base of L-gamma-glutamyl-D-alanine arising from deprotonation of both carboxy groups and protonation of the glutamyl amino group; major species at pH 7.3. ChEBI CHEBI:57915
      The conjugate base of L-gamma-glutamyl-D-alanine arising from deprotonation of both carboxy groups and protonation of the glutamyl amino group; major; species at pH 7.3. ChEBI CHEBI:57915

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

Density:
Boiling Point: 564.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 295.1±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -4.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

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