Found 6 results

Search term: MBDKGXAMSZIDKF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]propanoate | C21H38NO4

(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]propanoate

  • Molecular FormulaC21H38NO4
  • Average mass368.531 Da
  • Monoisotopic mass368.280640 Da
  • ChemSpider ID58827328

  • 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)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]propanoat [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]propanoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoylamino]propanoate [French] [ACD/IUPAC Name]
L-Serine, N-[(9Z)-1-oxo-9-octadecen-1-yl]-, ion(1-) [ACD/Index Name]
(2S)-3-hydroxy-2-{[(9R)-octadec-9-enoyl]amino}propanoate
N-(9Z-octadecenoyl)-L-serine
N-[(9Z)-octadecenoyl]-L-serinate
N-[(9Z)-octadecenoyl]serinate
N-oleoyl-L-serinate
N-oleoylserinate
More...
  • Miscellaneous

    • Chemical Class:

      An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-serine. ; The major species at pH 7.3. ChEBI CHEBI:134031
      An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-serine. The major species at pH 7.3. ChEBI CHEBI:134031

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

Density:
Boiling Point: 571.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 299.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 36.40
ACD/KOC (pH 5.5): 83.85
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 6.76
Polar Surface Area: 89 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement