ChemSpider 2D Image | 1-octadecanoyl-2-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-sn-glycero-3-phosphocholine | C44H80NO8P

1-octadecanoyl-2-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC44H80NO8P
  • Average mass782.082 Da
  • Monoisotopic mass781.562134 Da
  • ChemSpider ID24766707

  • 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-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(stearoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-3-(stearoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-octadecanoyl-2-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-3-(stearoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-3-(octadecanoyloxy)-2-{[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-octadecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphocholine
1-Stearoyl-2-stearidonoyl-sn-glycero-3-phosphocholine
GPCho(18:0/18:4)
GPCho(18:0/18:4n3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine 36:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (6<stereo>Z</stereo>,9<stereo>Z</stereo>,12<stereo>Z</stereo>,15<stereo>Z</stereo>)-octadecatetraenoyl res pectively. ChEBI CHEBI:86134
      A phosphatidylcholine 36:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (6Z,9Z,12Z,15Z)-octadecatetraenoyl res; pectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86134
      A phosphatidylcholine 36:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (6Z,9Z,12Z,15Z)-octadecatetraenoyl respectively. ChEBI CHEBI:86134

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: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.68
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2488329.50
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2488414.25
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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