Cas no 78333-14-9 (D-Aspartic-2,3,3-t3acid (9CI))

D-Aspartic-2,3,3-t3acid (9CI) structure
D-Aspartic-2,3,3-t3acid (9CI) structure
Product Name:D-Aspartic-2,3,3-t3acid (9CI)
CAS No:78333-14-9
MF:C4H7NO4
MW:139.127009391785
CID:562843
PubChem ID:90476139
Update Time:2025-04-19

D-Aspartic-2,3,3-t3acid (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Aspartic-2,3,3-t3acid (9CI)
    • ASPARTIC ACID, D-[2,3-3H]
    • D-[2,3-3H]ASPARTIC ACID
    • D-ASPARTIC ACID, [2,3-3H]
    • Aspartic acid,D-[2,3-3H]
    • 78333-14-9
    • D-Aspartic-2,3,3-t3acid(9ci)
    • Inchi： 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1/i1T2,2T
    • InChI Key： CKLJMWTZIZZHCS-DOIPDIKXSA-N
    • SMILES： OC([C@@]([3H])(C([3H])([3H])C(=O)O)N)=O

Computed Properties

  • Exact Mass: 139.062
  • Monoisotopic Mass: 139.062
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 133
  • 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: _2.8
  • Topological Polar Surface Area: 101A^2

Experimental Properties

  • PSA: 100.62000
  • LogP: -0.42670

D-Aspartic-2,3,3-t3acid (9CI) Related Literature

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