ChemSpider 2D Image | N-oleoyl-L-phenylalanine | C27H43NO3

N-oleoyl-L-phenylalanine

  • Molecular FormulaC27H43NO3
  • Average mass429.635 Da
  • Monoisotopic mass429.324280 Da
  • ChemSpider ID58827530

  • 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

L-Phenylalanine, N-[(9Z)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
N-[(9Z)-9-Octadecenoyl]-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(9Z)-9-Octadecenoyl]-L-phenylalanine [ACD/IUPAC Name]
N-[(9Z)-9-Octadecenoyl]-L-phénylalanine [French] [ACD/IUPAC Name]
N-oleoyl-L-phenylalanine
(2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropanoate
(2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropanoic acid
(2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropionate
(2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropionic acid
136560-78-6 [RN]
More...
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acyl-<stereo>L</stereo>-phenylalanine resulting from the formal condensation of the carboxy group of oleic acid with the amino group of <stereo>L</stereo>-phenylalanine. ChEBI CHEBI:134021
      An N-acyl-L-phenylalanine resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-phenylalanine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134021

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 610.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 323.0±31.5 °C
Index of Refraction: 1.511
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 5364.92
ACD/KOC (pH 5.5): 3804.45
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 224.23
ACD/KOC (pH 7.4): 159.01
Polar Surface Area: 66 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 430.4±3.0 cm3

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