ChemSpider 2D Image | 1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine | C48H90NO7P

1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC48H90NO7P
  • Average mass824.205 Da
  • Monoisotopic mass823.645508 Da
  • ChemSpider ID58163814

  • 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-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(octadecyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-octadecyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-3-(octadecyloxy)-2-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-3-(octadécyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-{[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
1-octadecyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphocholine
PC(O-18:0/22:4(7Z,10Z,13Z,16Z))
PC(O-18:0/22:4)
PC(O-40:4)
  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine O-40:4 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>)-do cosatetraenoyl respectively. ChEBI CHEBI:86447
      A phosphatidylcholine O-40:4 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (7Z,10Z,13Z,16Z)-do; cosatetraenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86447
      A phosphatidylcholine O-40:4 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively. ChEBI CHEBI:86447

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: 1
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 13.23
ACD/LogD (pH 5.5): 11.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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