Cas no 3436-45-1 (3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI))

3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI) structure
3436-45-1 structure
Product Name:3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI)
CAS No:3436-45-1
MF:C22H44NO8P
MW:481.560428619385
CID:309984
PubChem ID:160688
Update Time:2025-04-19

3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI)
    • 1,2-diheptanoyl-sn-glycero-3-phosphatidylcholine
    • 3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9
    • 1,2-Heptanoyl-sn-glycero-3-phosphocholine
    • 1,2-Diheptanoyl-PC
    • 1,2-Heptanoylphosphatidylcholine
    • DTXSID50187936
    • 3,5,9-Trioxa-4-phosphahexadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxoheptyl)oxy)-, inner salt, 4-oxide, (S)-
    • 1,2-Diheptanoylphosphatidylcholine
    • 3436-45-1
    • Inchi： 1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m0/s1
    • InChI Key： RBFSPQDASPEAID-FQEVSTJZSA-N
    • SMILES： P(=O)([O-])(OC[C@H](COC(CCCCCC)=O)OC(CCCCCC)=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 481.28062
  • Monoisotopic Mass: 481.28045436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 22
  • Complexity: 556
  • 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: 3.7
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • PSA: 111.19

3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI) Related Literature

3436-45-1 (3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)oxy]-, inner salt, 4-oxide,(S)- (9CI)) Related Products

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