Cas no 70938-21-5 (Glycine, N-(carboxymethyl)-N-(1-oxooctadecyl)-)

Glycine, N-(carboxymethyl)-N-(1-oxooctadecyl)- structure
70938-21-5 structure
Product Name:Glycine, N-(carboxymethyl)-N-(1-oxooctadecyl)-
CAS No:70938-21-5
MF:C22H41NO5
MW:399.564647436142
CID:546372
PubChem ID:13060866
Update Time:2025-04-19

Glycine, N-(carboxymethyl)-N-(1-oxooctadecyl)- Chemical and Physical Properties

Names and Identifiers

    • Glycine, N-(carboxymethyl)-N-(1-oxooctadecyl)-
    • 2-[carboxymethyl(octadecanoyl)amino]acetic acid
    • Acetic acid, (stearoylimino)di-
    • Acetyl carboxymethyl stearoyl glycine
    • UNII-99S784ME3W
    • Q27272237
    • DTXSID90221166
    • 70938-21-5
    • 99S784ME3W
    • Inchi: 1S/C22H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23(18-21(25)26)19-22(27)28/h2-19H2,1H3,(H,25,26)(H,27,28)
    • InChI Key: FGNQANUXUCVISM-UHFFFAOYSA-N
    • SMILES: O=C(CCCCCCCCCCCCCCCCC)N(CC(=O)O)CC(=O)O

Computed Properties

  • Exact Mass: 399.29863
  • Monoisotopic Mass: 399.29847341g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 20
  • Complexity: 409
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.3
  • Topological Polar Surface Area: 94.9?2

Experimental Properties

  • PSA: 94.91
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