Cas no 54336-69-5 (4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt)

4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt structure
54336-69-5 structure
Product Name:4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt
CAS No:54336-69-5
MF:C41H83N2O6P
MW:731.081294298172
CID:4654830
PubChem ID:5353953
Update Time:2024-11-08

4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt Chemical and Physical Properties

Names and Identifiers

    • (2-{[(4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium
    • SM 18:1;2O/18:0
    • 4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt
    • DTXSID601346504
    • [(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
    • N-STEAROYL-D-SPHINGOMYELIN
    • C18 Sphingomyelin (d18:1/18:0)
    • Sphingomyelin d18:1-C18:0
    • LKQLRGMMMAHREN-NWBJSICCSA-N
    • 54336-69-5
    • DA-56320
    • Inchi： 1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+
    • InChI Key： LKQLRGMMMAHREN-NWBJSICCSA-N
    • SMILES： P(=O)([O-])(OCC(C(/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCCCCCCCC)=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 730.59887537g/mol
  • Monoisotopic Mass: 730.59887537g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 38
  • Complexity: 826
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 13.4
  • Topological Polar Surface Area: 108?2

4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt Pricemore >>

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4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt Related Literature

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54336-69-5 (4-hydroxy-7-(1-hydroxy-2-hexadecen-1-yl)-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium,4-oxide,innersalt) Related Products

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