ChemSpider 2D Image | 1-(1Z-octadecenyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine | C44H84NO7P

1-(1Z-octadecenyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine

  • Molecular FormulaC44H84NO7P
  • Average mass770.114 Da
  • Monoisotopic mass769.598511 Da
  • ChemSpider ID24767519

  • 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

(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(1Z)-1-octadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(1Z)-1-octadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-(1Z-octadecenyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1Z)-1-octadecen-1-yloxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(1Z)-1-octadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-[(1Z)-octadec-1-en-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
1-(1-enyl-stearoyl)-2-linoleoyl-GPC
1-(1-enyl-stearoyl)-2-linoleoyl-GPC (P-18:0/18:2)
1-(1-Enyl-stearoyl)-2-linoleoyl-sn-glycero-3-phosphocholine
1-(1Z-octadecenyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A 1-(<stereo>Z</stereo>)-alk-1-enyl-2-acyl-<ital>sn</ital>-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1<stereo>Z</stereo>)-octadecenyl and linoleoyl (9<stereo> Z</stereo>,12<stereo>Z</stereo>-octadecadienoyl) respectively. ChEBI CHEBI:84555
      A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and linoleoyl (9; Z,12Z-octadecadienoyl) respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84555
      A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and linoleoyl (9Z,12Z-octadecadienoyl) respectively. ChEBI CHEBI:84555

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 12.54
ACD/LogD (pH 5.5): 10.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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