1-hexadecanoyl-2-(9Z,11Z,13Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphocholine

Base Information

• Chemical Name: 1-hexadecanoyl-2-(9Z,11Z,13Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphocholine
• CAS No.: 82188-63-4
• Molecular Formula: C42H76 N O8 P
• Molecular Weight: 754.04
• Metabolomics Workbench ID: 13406
• Mol file: 82188-63-4.mol

Synonyms:1-palmitoyl-2-(trans-parinaroyl)-sn-glycero-3-phosphocholine;1-palmitoyl-2-parinaroylphosphatidylcholine;1-palmitoyl-2-parinoyl-phosphatidylcholine;cis-PnA;PPn-APC

Chemical Property of 1-hexadecanoyl-2-(9Z,11Z,13Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphocholine

Chemical Property:

• PSA: 121.00000
• LogP: 11.56620
• XLogP3: 12.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 38
• Exact Mass: 753.53085538
• Heavy Atom Count: 52
• Complexity: 1030

Purity/Quality:

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