Cas no 73952-11-1 (DL-Tagatose)

DL-Tagatose structure
DL-Tagatose structure
Product Name:DL-Tagatose
CAS No:73952-11-1
MF:C6H12O6
MW:180.155882835388
CID:978688
Update Time:2024-03-05

DL-Tagatose Chemical and Physical Properties

Names and Identifiers

    • DL-Tagatose
    • Inchi: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m1/s1
    • InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N
    • SMILES: OCC([C@H]([C@H]([C@@H](CO)O)O)O)=O

Computed Properties

  • Exact Mass: 180.063388
  • Monoisotopic Mass: 180.063388
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 118
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