ChemSpider 2D Image | 1-docosapentaenoyl-sn-glycero-3-phosphocholine | C30H52NO7P

1-docosapentaenoyl-sn-glycero-3-phosphocholine

  • Molecular FormulaC30H52NO7P
  • Average mass569.710 Da
  • Monoisotopic mass569.348145 Da
  • ChemSpider ID24766537

  • 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)-4,7,10,13,16-Docosapentaenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-2-hydroxypropyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
1-docosapentaenoyl-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(4Z,7Z,10Z,13Z,16Z)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]-2-hydroxypropyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate
1-(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-sn-glycero-3-phosphocholine
1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A lysophosphatidylcholine 22:5 in which the acyl group at position 1 is (4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>)-docosapentaenoyl and th e hydroxy group at position 2 is unsubstituted. ChEBI CHEBI:74348
      A lysophosphatidylcholine 22:5 in which the acyl group at position 1 is (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl and th; e hydroxy group at position 2 is unsubstituted. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74348
      A lysophosphatidylcholine 22:5 in which the acyl group at position 1 is (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl and the hydroxy group at position 2 is unsubstituted. ChEBI CHEBI:74348

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: 25
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 9.98
ACD/KOC (pH 5.5): 267.45
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 9.98
ACD/KOC (pH 7.4): 267.46
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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