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

Base Information

• Chemical Name: 1-Palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine
• CAS No.: 53595-24-7
• Molecular Formula: C40H78 N O8 P
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901209735
• Wikidata: Q74417324
• Metabolomics Workbench ID: 13382
• Mol file: 53595-24-7.mol

Synonyms:(CD3-16.0)(16.1)PC;1-(16,16,16-trideuteriopalmitoyl)-2-palmitoleoyl-sn-glycero-3-phosphocholine;1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine;1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine, (Z)-isomer;palmitoylpalmitoleoylphosphatidylcholine;PPA-GPC

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 121.00000
• Density: g/cm³
• LogP: 11.45800
• XLogP3: 12.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 39
• Exact Mass: 731.54650544
• Heavy Atom Count: 50
• Complexity: 868

Purity/Quality:

99% ^*data from raw 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)CCCCCCCC=CCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC

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