Cas no 130056-61-0 (Aspartic acid,N-(1-oxohexadecyl)-)

Aspartic acid,N-(1-oxohexadecyl)- structure
130056-61-0 structure
Product Name:Aspartic acid,N-(1-oxohexadecyl)-
CAS No:130056-61-0
MF:C20H37NO5
MW:371.511486768723
CID:147269
PubChem ID:120909
Update Time:2025-04-19

Aspartic acid,N-(1-oxohexadecyl)- Chemical and Physical Properties

Names and Identifiers

    • Aspartic acid,N-(1-oxohexadecyl)-
    • (2S)-2-(hexadecanoylamino)butanedioic acid
    • L-Aspartic acid, N-(1-oxohexadecyl)-
    • DTXSID00926579
    • N-(1-oxohexadecyl)-L-Aspartic acid
    • N-(1-Hydroxyhexadecylidene)aspartic acid
    • BRN 2295471
    • DL-Aspartic acid, N-(1-oxohexadecyl)-
    • N-Palmitoyl-L-aspartate
    • N-Palmitoyl-DL-aspartic acid
    • L-N-Palmitoylaspartic acid
    • Aspartic acid, N-palmitoyl-
    • 1782-17-8
    • N-(1-Oxohexadecyl)-DL-aspartic acid
    • AKOS030590005
    • Palmitoyl-L-aspartic acid
    • SCHEMBL1830843
    • 130056-61-0
    • Aspartic acid, N-palmitoyl-, L-
    • Inchi： 1S/C20H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)21-17(20(25)26)16-19(23)24/h17H,2-16H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t17-/m0/s1
    • InChI Key： ZYJZBFYRVKLOAA-KRWDZBQOSA-N
    • SMILES： O=C(CCCCCCCCCCCCCCC)N[C@H](C(=O)O)CC(=O)O

Computed Properties

  • Exact Mass: 371.267
  • Monoisotopic Mass: 371.267
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 18
  • Complexity: 398
  • 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: 6
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Density: 1.048g/cm3
  • Boiling Point: 539.5oC at 760 mmHg
  • Flash Point: 280.1oC
  • Refractive Index: 1.484
  • LogP: 5.35210

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