Cas no 89829-69-6 (N-Acetyl-D,L-Aspartic Acid 2,3,3-D3)

N-Acetyl-D,L-Aspartic Acid 2,3,3-D3 structure
89829-69-6 structure
Product Name:N-Acetyl-D,L-Aspartic Acid 2,3,3-D3
CAS No:89829-69-6
MF:C6H9NO5
MW:178.157847166061
CID:720904
Update Time:2024-10-26

N-Acetyl-D,L-Aspartic Acid 2,3,3-D3 Chemical and Physical Properties

Names and Identifiers

    • Aspartic-2,3,3-d3 acid,N-acetyl- (7CI)
    • N-Acetyl-D,L-Aspartic Acid 2,3,3-D3
    • N-ACETYL-DL-ASPARTIC-2,3,3-D3 ACID
    • Inchi: 1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/i2D2,4D
    • InChI Key: OTCCIMWXFLJLIA-OVLJBECYSA-N
    • SMILES: C([2H])(C(=O)O)(NC(=O)C)C([2H])([2H])C(=O)O

Computed Properties

  • Exact Mass: 178.067
  • Monoisotopic Mass: 178.067
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 212
  • 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: _1.1
  • Topological Polar Surface Area: 104A^2

N-Acetyl-D,L-Aspartic Acid 2,3,3-D3 Pricemore >>

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