Cas no 21394-42-3 (Methionine,N-(1-oxooctadecyl)-)

Methionine,N-(1-oxooctadecyl)- structure
21394-42-3 structure
Product Name:Methionine,N-(1-oxooctadecyl)-
CAS No:21394-42-3
MF:C23H45NO3S
MW:415.67330622673
CID:260102
PubChem ID:89489
Update Time:2025-04-19

Methionine,N-(1-oxooctadecyl)- Chemical and Physical Properties

Names and Identifiers

    • 4-methylsulfanyl-2-(octadecanoylamino)butanoic acid
    • Methionine,N-(1-oxooctadecyl)-
    • N-(1-Oxooctadecyl)-DL-methionine
    • N-octadecanoylmethionine
    • N-Stearoyl-DL-methionine
    • SCHEMBL5664923
    • N-stearoyl methionine
    • DTXSID10943939
    • N-(1-Hydroxyoctadecylidene)methionine
    • 21394-42-3
    • AKOS005381826
    • EINECS 244-357-2
    • Inchi: 1S/C23H45NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h21H,3-20H2,1-2H3,(H,24,25)(H,26,27)
    • InChI Key: RYUVEEZMMFRGGS-UHFFFAOYSA-N
    • SMILES: S(C)CCC(C(=O)O)NC(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 415.31225
  • Monoisotopic Mass: 415.31201547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 21
  • Complexity: 377
  • 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
  • XLogP3: 8.6
  • Topological Polar Surface Area: 91.7?2

Experimental Properties

  • PSA: 66.4
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