Cas no 42608-53-7 (Dialuric acid monohydrate)

Dialuric acid monohydrate structure
Dialuric acid monohydrate structure
Product Name:Dialuric acid monohydrate
CAS No:42608-53-7
MF:C4H6N2O5
MW:162.10084104538
CID:2637967
Update Time:2023-08-07

Dialuric acid monohydrate Chemical and Physical Properties

Names and Identifiers

    • 5-hydroxy-1,3-diazinane-2,4,6-trione,hydrate
    • Dialuric acid monohydrate
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-hydroxy-, hydrate (1:1)
    • 4,5,6-Trihydroxypyrimidin-2(5H)-one--water (1/1)
    • Inchi: 1S/C4H4N2O4.H2O/c7-1-2(8)5-4(10)6-3(1)9;/h1,7H,(H2,5,6,8,9,10);1H2
    • InChI Key: NSQBTVAVONZKCW-UHFFFAOYSA-N
    • SMILES: OC1C(NC(NC1=O)=O)=O.O

Computed Properties

  • Exact Mass: 162.028
  • Monoisotopic Mass: 162.028
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 191
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 96.5

Dialuric acid monohydrate Related Literature

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