ChemSpider 2D Image | (2S)-5-Amino-2-[(9Z)-9-octadecenoylamino]-5-oxopentanoate | C23H41N2O4

(2S)-5-Amino-2-[(9Z)-9-octadecenoylamino]-5-oxopentanoate

  • Molecular FormulaC23H41N2O4
  • Average mass409.583 Da
  • Monoisotopic mass409.307190 Da
  • ChemSpider ID58827329

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Amino-2-[(9Z)-9-octadecenoylamino]-5-oxopentanoat [German] [ACD/IUPAC Name]
(2S)-5-Amino-2-[(9Z)-9-octadecenoylamino]-5-oxopentanoate [ACD/IUPAC Name]
(2S)-5-Amino-2-[(9Z)-9-octadecenoylamino]-5-oxopentanoate [French] [ACD/IUPAC Name]
L-Glutamine, N2-[(9Z)-1-oxo-9-octadecen-1-yl]-, ion(1-) [ACD/Index Name]
(2S)-5-amino-2-{[(9Z)-octadec-9-enoyl]amino}-5-oxopentanoate
N-(9Z-octadecenoyl)-L-glutaminate
N-(9Z-octadecenoyl)-L-glutamine
N-[(9Z)-octadecenoyl]glutaminate
N-[(9Z)-octadecenoyl]-L-glutaminate
N-oleoylglutaminate
More...
  • Miscellaneous

    • Chemical Class:

      An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-glutamin; e. The major species at pH 7.3. ChEBI CHEBI:134033
      An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-glutamine. The major species at pH 7.3. ChEBI CHEBI:134033

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

Density:
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 57.85
ACD/KOC (pH 5.5): 138.91
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 6.89
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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