ChemSpider 2D Image | 1-PALMITOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | C46H80NO8P

1-PALMITOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

  • Molecular FormulaC46H80NO8P
  • Average mass806.103 Da
  • Monoisotopic mass805.562134 Da
  • ChemSpider ID24767386
  • 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-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-2-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-PALMITOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
99265-04-0 [RN]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-2-[(1-oxohexadecyl)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-(palmitoyloxy)propyle et de 2-(trim├ęthylammonio)├ęthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxodocosa-4,7,10,13,16,19-hexaenoxy]-2-(1-oxohexadecoxy)propyl] 2-trimethylammonioethyl phosphate
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hexadecanoyloxy-propyl] 2-trimethylammonioethyl phosphate
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hexadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C30FQ1G6BI [DBID]
LMGP01011116 [DBID]
UNII:C30FQ1G6BI [DBID]
UNII-C30FQ1G6BI [DBID]
  • Miscellaneous
    • Chemical Class:

      A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (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 and hexadecanoyl respectively. ChEBI CHEBI:86182
      A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and hexadecanoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86182

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: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.50
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3268069.50
ACD/LogD (pH 7.4): 8.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3268180.75
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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