ChemSpider 2D Image | 1-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | C46H80NO7P

1-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

  • Molecular FormulaC46H80NO7P
  • Average mass790.104 Da
  • Monoisotopic mass789.567261 Da
  • ChemSpider ID58827660
  • 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-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-3-[(1Z)-1-hexadecen-1-yloxy]-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-[(1Z)-1-hexadécén-1-yloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-{[(1Z)-hexadec-1-en-1-yl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-(1-enyl-palmitoyl)-2-docosahexaenoyl-GPC
1-(1-enyl-palmitoyl)-2-docosahexaenoyl-GPC (P-16:0/22:6)
1-(1-Enyl-palmitoyl)-2-docosahexaenoyl-sn-glycero-3-phosphocholine
1-[(1Z)-hexadecenyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine
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  • 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>)-hexadecenyl and (4<stereo>Z</stereo>, 7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-docosahexaenoyl respectively. ChEBI CHEBI:133636
      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)-hexadecenyl and (4Z,; 7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133636

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

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: 39
#Rule of 5 Violations: 2
ACD/LogP: 11.07
ACD/LogD (pH 5.5): 9.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5062519.00
ACD/LogD (pH 7.4): 9.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5062697.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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