Cas no 127478-74-4 (L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI))

L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI) structure
127478-74-4 structure
Product Name:L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI)
CAS No:127478-74-4
MF:C25H47NO5
MW:441.644388437271
CID:209734
PubChem ID:3035506
Update Time:2025-04-19

L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-(1-oxohexadecyl)-, diethyl ester (9CI)
    • diethyl (2S)-2-(hexadecanoylamino)pentanedioate
    • diethyl N-palmitoylglutamate
    • Deepgt
    • Diethyl N-(1-oxohexadecyl)-L-glutamate
    • diethyl N-hexadecanoyl-L-glutamate
    • L-Glutamic acid, N-(1-oxohexadecyl)-, diethyl ester
    • 127478-74-4
    • DTXSID60155580
    • Inchi: 1S/C25H47NO5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)26-22(25(29)31-6-3)20-21-24(28)30-5-2/h22H,4-21H2,1-3H3,(H,26,27)/t22-/m0/s1
    • InChI Key: PKYNCDQAFVITPJ-QFIPXVFZSA-N
    • SMILES: O=C(CCCCCCCCCCCCCCC)N[C@H](C(=O)OCC)CCC(=O)OCC

Computed Properties

  • Exact Mass: 441.34561
  • Monoisotopic Mass: 441.34542360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 23
  • Complexity: 467
  • 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
  • Topological Polar Surface Area: 81.7?2
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 7.7

Experimental Properties

  • PSA: 81.7
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