chempirical

Uric acid

C5H4N4O3CAS 69-93-2168.11 g/mol

Open in Covalent MOL file
HONOHNOHNHN
Phenol

Properties

Molecular formula
C5H4N4O3
Molar mass
168.11 g/mol
Exact mass
168.0283 Da
Density
1.003–1.01 g/mL
Melting point
310 °C (decomposes)
logP
-0.53Crippen estimate
Polar surface area
115.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0

Identifiers

CAS number
69-93-2
SMILES
Oc1nc(O)c2nc(O)[nH]c2n1
InChIKey
LEHOTFFKMJEONL-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

Weigh it out

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

Names and synonyms

11 names
  • 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-
  • 7,9-Dihydro-1H-purine-2,6,8(3H)-trione
  • Lithic acid
  • Purine-2,6,8(1H,3H,9H)-trione
  • 2,6,8-Trioxypurine
  • 1H-Purine-2,6,8-triol
  • 2,6,8-Trioxopurine
  • 2,6,8-Trihydroxypurine
  • NSC 3975
  • Uric acid hyperuricemia
  • 2,3,6,7,8,9-Hexahydro-1H-purine-2,6,8-trione

Work with Uric acid

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

Similar compounds

3H-1,2,3-Triazolo[4,5-D]pyrimidine-5,7(4H,6H)-dione1468-26-450 % similar Xanthine69-89-648 % similar 7-Deazaxanthine39929-79-841 % similar 1,2,3,7,8,9-Hexahydro-2,8-dithioxo-6H-purin-6-one15986-32-039 % similar Lumazine487-21-838 % similar 6,7-Dimethylpterin611-55-237 % similar Lumichrome1086-80-233 % similar 5,6-Dimethyluracil26305-13-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia