Cas no 41017-85-0 (1,2-octanoylphosphatidylcholine)

1,2-octanoylphosphatidylcholine structure
41017-85-0 structure
Product Name:1,2-octanoylphosphatidylcholine
CAS No:41017-85-0
MF:C24H48NO8P
MW:509.613589286804
CID:926485
PubChem ID:620428
Update Time:2025-04-19

1,2-octanoylphosphatidylcholine Chemical and Physical Properties

Names and Identifiers

    • 1,2-octanoylphosphatidylcholine
    • 1,2-Octanoyl-sn-glycero-3-phosphocholine
    • Dic8-S-PC
    • 1,2-Dioctanoylthiophosphatidylcholine
    • 1,2-Dioctanoyl PC
    • 4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-3,5,9-trioxa-4-phosphaheptadecan-1-aminium hydroxide, inner salt, 4-oxide, (+-)-
    • 1,2-Dioctanoyl Phosphatidylcholine
    • Doct-PC
    • DTXSID20912171
    • 3,5,9-Trioxa-4-phosphaheptadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-, hydroxide, inner salt, 4-oxide, (+-)-
    • 41017-85-0
    • PD049035
    • 111466-75-2
    • Doct-S-PC
    • 3,5,9-Trioxa-4-phosphaheptadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxooctyl)oxy)-, inner salt, 4-oxide
    • 2,3-Bis(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
    • 2,3-di(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
    • J-012409
    • 3-S-Phosphocholine-1,2-O-dioctanoyl-3-mercapto-1,2-propanediol
    • Inchi： 1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3
    • InChI Key： YHIXRNNWDBPKPW-UHFFFAOYSA-N
    • SMILES： P(=O)([O-])(OCC(COC(CCCCCCC)=O)OC(CCCCCCC)=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 509.31175449g/mol
  • Monoisotopic Mass: 509.31175449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 24
  • Complexity: 586
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 111?2

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