ChemSpider 2D Image | 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine | C30H50NO7P

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

  • Molecular FormulaC30H50NO7P
  • Average mass567.694 Da
  • Monoisotopic mass567.332458 Da
  • ChemSpider ID8590975

  • 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)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-hydroxypropyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-2-hydroxypropyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
162440-05-3 [RN]
1-Docosahexaenoyl-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A lysophosphatidylcholine 22:6 in which the remaining acyl group is (4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-docosa -4,7,10,13,16,19-hexaenoyl. ChEBI CHEBI:73873
      A lysophosphatidylcholine 22:6 in which the remaining acyl group is (4Z,7Z,10Z,13Z,16Z,19Z)-docosa; -4,7,10,13,16,19-hexaenoyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73873
      A lysophosphatidylcholine 22:6 in which the remaining acyl group is (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl. ChEBI CHEBI:73873

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: 2
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 7.09
ACD/KOC (pH 5.5): 209.36
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 7.09
ACD/KOC (pH 7.4): 209.37
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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