2-[[(2R)-2-acetyloxy-3-hexadecoxypropoxy]-oxidophosphinothioyl]oxyethyl-trimethylazanium

Base Information

• Chemical Name: 2-[[(2R)-2-acetyloxy-3-hexadecoxypropoxy]-oxidophosphinothioyl]oxyethyl-trimethylazanium
• CAS No.: 110786-03-3
• Molecular Formula: C26H54 N O6 P S
• Molecular Weight: 539.7488
• DSSTox Substance ID: DTXSID80911862
• Mol file: 110786-03-3.mol

Synonyms:1-O-hexadecyl-2-acetyl-3-thiophosphocholine;1-O-hexadecyl-2-acetyl-3-thiophosphocholine, S-(R*,S*)-isomer;AGEPsC

Chemical Property of 2-[[(2R)-2-acetyloxy-3-hexadecoxypropoxy]-oxidophosphinothioyl]oxyethyl-trimethylazanium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 80.87000
• Density: g/cm³
• LogP: 6.81040
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 26
• Exact Mass: 539.34094661
• Heavy Atom Count: 35
• Complexity: 559

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOCC(COP(=S)([O-])OCC[N+](C)(C)C)OC(=O)C
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=S)([O-])OCC[N+](C)(C)C)OC(=O)C