ChemSpider 2D Image | 1-(7Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | C46H78NO8P

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

  • Molecular FormulaC46H78NO8P
  • Average mass804.087 Da
  • Monoisotopic mass803.546509 Da
  • ChemSpider ID24822829

  • 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-[(7Z)-7-hexadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(7Z)-7-hexadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-(7Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-3-[[(7Z)-1-oxo-7-hexadecen-1-yl]oxy]propoxy]phosphinyl]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-[(7Z)-7-hexadecenoyloxy]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-hexaenoyloxy]-3-[(7Z)-hexadec-7-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
GPCho(38:7)
PC(16:1(7Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC(16:1/22:6)
PC(16:1_22:6)
More...
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 are 7<stereo>Z</stereo>-hexadecenoyl and 4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<s tereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>-docosahexaenoyl respectively. ChEBI CHEBI:64500
      A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 are 7Z-hexadecenoyl and 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64500, CHEBI:64500

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: 39
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1050774.75
ACD/LogD (pH 7.4): 8.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1050810.50
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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