Cas no 126959-05-5 (Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt)

Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt structure
126959-05-5 structure
Product Name:Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt
CAS No:126959-05-5
MF:C42H84NO8P
MW:762.092035293579
CID:140794
PubChem ID:130911
Update Time:2025-04-19

Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt
    • (3-docosanoyloxy-2-dodecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
    • 1-docosanoyl-2-dodecanoylphosphatidylcholine
    • Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,...
    • 1-Ddpch
    • 3-(docosanoyloxy)-2-(dodecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    • 3,5,9-Trioxa-4-phosphahentriacontan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxododecyl)oxy)-, hydroxide, inner salt, 4-oxide
    • 4-Hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxododecyl)oxy)-3,5,9-trioxa-4-phosphahentriacontan-1-aminium hydroxide, inner salt, 4-oxide
    • 126959-05-5
    • Inchi： 1S/C42H84NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-26-15-13-11-9-7-2/h40H,6-39H2,1-5H3
    • InChI Key： MCNGJGRPYKOAMP-UHFFFAOYSA-N
    • SMILES： P(=O)([O-])(OCC(COC(CCCCCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 761.59382
  • Monoisotopic Mass: 761.59345564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 42
  • Complexity: 857
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 14.5
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • PSA: 111.19

Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt Related Literature

126959-05-5 (Ethanaminium,2-[[hydroxy[3-[(1-oxodocosyl)oxy]-2-[(1-oxododecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-,inner salt) Related Products

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