ChemSpider 2D Image | 1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine | C46H80NO8P

1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC46H80NO8P
  • Average mass806.103 Da
  • Monoisotopic mass805.562134 Da
  • ChemSpider ID24766778

  • 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-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2-{[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphocholine
1-Oleoyl-2-eicosapentaenoyl-sn-glycero-3-phosphocholine
GPCho(18:1/20:5)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (9<stereo>Z</stereo>)-octadecenoyl and (5<stereo>Z</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z< /stereo>,17<stereo>Z</stereo>)-eicosapentaenoyl respectively. ChEBI CHEBI:86187
      A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z,14<stereo>Z<; /stereo>,17Z)-eicosapentaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86187
      A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. ChEBI CHEBI:86187

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: 10.59
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2285396.75
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2285474.50
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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