chempirical

Alloxan monohydrate

C4H4N2O5CAS 3237-50-1160.09 g/mol

Open in Covalent MOL file
OONHOHNOHOH
AlcoholAmideLactamUrea

Properties

Molecular formula
C4H4N2O5
Molar mass
160.09 g/mol
Exact mass
160.0120 Da
Water solubility
≥ 100 g/L (21.5 °C)
logP
-2.97Crippen estimate
Polar surface area
115.7 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
0

Identifiers

CAS number
3237-50-1
SMILES
C1(=O)C(C(=O)NC(=O)N1)(O)O
InChIKey
ZIIHZVKHFWOENY-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 5,5-Dihydroxy-1,3-diazinane-2,4,6-trione
  • Alloxan hydrate
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dihydroxy-
  • Barbituric acid, 5,5-dihydroxy-
  • 5,5-Dihydroxybarbituric acid
  • Mesoxalylurea monohydrate
  • 5,5-Dihydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate
  • Mesoxalylcarbamide monohydrate
  • 2,4,5,6(1H,3H)Pyrimidinetetrone hydrate
  • 2,4,5,6Tetraoxohexahydropyrimidine hydrate
  • 2,4,5,6(1H,3H)Pyrimidinetetrone, monohydrate
  • 5,5-Dihydroxypyrimidine-2,4,6(1H,3H,5H)-trione
  • 5,5-Dihydroxyperhydropyrimidinetrione
  • 5,5-Dihydroxy-1,3,5-trihydropyrimidine-2,4,6-trione
  • Alloxanmonohydrat

Work with Alloxan monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1)2244-11-3

Elsewhere

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