Cas no 106689-19-4 (Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt)

Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt structure
106689-19-4 structure
Product Name:Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
CAS No:106689-19-4
MF:C40H84NO6P
MW:706.071834564209
CID:157845
PubChem ID:194725
Update Time:2025-04-19

Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt
    • (3-dodecoxy-2-icosoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
    • 1-dodecyl-2-eicosyl-glycero-3-phosphocholine
    • Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-...
    • 1-Doc-2-eic-PC
    • 3-(dodecyloxy)-2-(icosyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    • AC1L4YSJ
    • AC1Q22IV
    • ACMC-20cj0w
    • AG-K-63158
    • AR-1E7657
    • CTK4A4715
    • DTXSID70910081
    • 3-(Dodecyloxy)-2-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
    • 106689-19-4
    • Inchi： 1S/C40H84NO6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-36-45-40(39-47-48(42,43)46-37-34-41(3,4)5)38-44-35-32-30-28-26-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3
    • InChI Key： NUPHZIVQECYTNH-UHFFFAOYSA-N
    • SMILES： P(=O)([O-])(OCC(COCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 705.60402
  • Monoisotopic Mass: 705.60362640g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 40
  • Complexity: 681
  • 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: 14.2
  • Topological Polar Surface Area: 77?2

Experimental Properties

  • PSA: 77.05

Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt Related Literature

106689-19-4 (Ethanaminium,2-[[[3-(dodecyloxy)-2-(eicosyloxy)propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-,inner salt) Related Products

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