Cas no 135566-25-5 (3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI))

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI) structure
135566-25-5 structure
Product Name:3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI)
CAS No:135566-25-5
MF:C27H54NO7P
MW:535.693930149078
CID:195517
PubChem ID:195806
Update Time:2025-04-19

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI)
    • 1-O-hexadecyl-2-acrylyl-sn-glycero-3-phosphocholine
    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9C
    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]...
    • (2R)-2-(acryloyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    • Acrylyl-paf
    • CHEBI:177111
    • 1-hexadecyl-2-(2E-propionyl)-sn-glycero-3-phosphocholine
    • LMGP01020070
    • PC(O-16:0/3:1(2E))
    • PC(O-16:0/3:1)
    • [(2R)-3-hexadecoxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • 3-(Hexadecyloxy)-2-[(prop-2-enoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
    • DTXSID30929053
    • 135566-25-5
    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-
    • PC(o19:1)
    • Inchi： 1S/C27H54NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-26(35-27(29)7-2)25-34-36(30,31)33-23-21-28(3,4)5/h7,26H,2,6,8-25H2,1,3-5H3/t26-/m1/s1
    • InChI Key： FZTHXYOLVRRAMJ-AREMUKBSSA-N
    • SMILES： P(=O)([O-])(OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C=C)=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 535.36402
  • Monoisotopic Mass: 535.364
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 27
  • Complexity: 587
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.1
  • Topological Polar Surface Area: 94.1?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 94.12

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI) Related Literature

135566-25-5 (3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxo-2-propenyl)oxy]-, inner salt, 4-oxide, (R)-(9CI)) Related Products

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