[(2R)-3-hexadecanoyloxy-2-[(5S,6Z,8E,11E,14E)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Base Information

• Chemical Name: [(2R)-3-hexadecanoyloxy-2-[(5S,6Z,8E,11E,14E)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
• CAS No.: 125111-41-3
• Molecular Formula: C44H80 N O9 P
• Molecular Weight: 798.0811
• Mol file: 125111-41-3.mol

Synonyms:1-palm-2-5HETE PC;1-palmitoyl-2-(5-hydroxy-6,8,11,14-eicosatetraenoyl)-glycero-3-phosphocholine

Chemical Property of [(2R)-3-hexadecanoyloxy-2-[(5S,6Z,8E,11E,14E)-5-hydroxyicosa-6,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 141.23000
• Density: g/cm³
• LogP: 11.31720
• XLogP3: 11.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 40
• Exact Mass: 797.55707013
• Heavy Atom Count: 55
• Complexity: 1090

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(C=CC=CCC=CCC=CCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC[C@@H](/C=C\C=C\C/C=C/C/C=C/CCCCC)O

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