2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidophosphinothioyl]oxyethyl-trimethylazanium

Base Information

• Chemical Name: 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidophosphinothioyl]oxyethyl-trimethylazanium
• CAS No.: 81844-74-8
• Molecular Formula: C44H84 N O7 P S
• Molecular Weight: 802.179021
• Mol file: 81844-74-8.mol

Synonyms:1,2-oleoylthion-sn-glycero-3-phosphocholine;1,2-oleoylthionphosphatidylcholine;dioleoyl-thion-phosphatidylcholine;DOTPC

Chemical Property of 2-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy-oxidophosphinothioyl]oxyethyl-trimethylazanium

Chemical Property:

• PSA: 97.94000
• LogP: 12.91080
• XLogP3: 15.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 42
• Exact Mass: 801.57061219
• Heavy Atom Count: 54
• Complexity: 985

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: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=S)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=S)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC

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