ChemSpider 2D Image | (2R)-2-{[(2S)-2-Ammoniopropanoyl]amino}pentanedioate | C8H13N2O5

(2R)-2-{[(2S)-2-Ammoniopropanoyl]amino}pentanedioate

  • Molecular FormulaC8H13N2O5
  • Average mass217.200 Da
  • Monoisotopic mass217.082993 Da
  • ChemSpider ID19260405

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-{[(2S)-2-Ammoniopropanoyl]amino}pentandioat [German] [ACD/IUPAC Name]
(2R)-2-{[(2S)-2-Ammoniopropanoyl]amino}pentanedioate [ACD/IUPAC Name]
(2R)-2-{[(2S)-2-Ammoniopropanoyl]amino}pentanedioate [French] [ACD/IUPAC Name]
D-Glutamic acid, L-alanyl-, inner salt, ion(1-) [ACD/Index Name]
(2R)-2-{[(2S)-2-azaniumylpropanoyl]amino}pentanedioate
(4R)-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxybutanoate
L-Ala-&γ;-D-Glu
L-Ala-D-Glu
L-Ala-D-Glu(1-)
L-Alanyl-D-glutamate
More...
  • Miscellaneous

    • Chemical Class:

      A peptide anion that is the conjugate base of L-alanyl-D-glutamic acid, arising from deprotonation of the the two carboxy groups and protonation of the amino group; m; ajor species at pH 7.3. ChEBI CHEBI:61395
      A peptide anion that is the conjugate base of L-alanyl-D-glutamic acid, arising from deprotonation of the the two carboxy groups and protonation of the amino group; major species at pH 7.3. ChEBI CHEBI:61395

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

Density:
Boiling Point: 520.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 268.6±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: -2.33
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): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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