1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine

Base Information

• Chemical Name: 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
• CAS No.: 59403-54-2
• Molecular Formula: C₄₆H₈₀NO₈P
• Molecular Weight: 806.117
• DSSTox Substance ID: DTXSID001198216
• Wikidata: Q27105028
• Metabolomics Workbench ID: 77453
• Mol file: 59403-54-2.mol

Synonyms:(CD3-16.0)(22.6)PC;1-(16,16,16-trideuteriopalmitoyl)-2-docosahexaenoyl-sn-glycero-3-phosphocholine;1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine;1-palmitoyl-2-docosahexaenoylphosphatidylcholine;PDCH-GPC;PDPC

Chemical Property of 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine

Chemical Property:

• PSA: 121.00000
• LogP: 12.67860
• Storage Temp.: Hygroscopic, -86°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 12.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 40
• Exact Mass: 805.56215551
• Heavy Atom Count: 56
• Complexity: 1180

Purity/Quality:

97% ^*data from raw suppliers

Palmitoyldocosahexaenoyl Phosphatidylcholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Lipids -> Ambiguous Lipids
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

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