Molecular Identity
uric acid
7,9-dihydro-3H-purine-2,6,8-trione
PubChem CID: 1175
7,9-dihydro-1H-purine-2,6,8(3H)-trione is an oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a tautomer of a 2,6-dihydroxy-7,9-dihydro-8H-purin-8-one, a 9H-purine-2,6,8-triol, a 7H-purine-2,6,8-triol, a 1H-purine-2,6,8-triol and a 5,7-dihydro-1H-purine-2,6,8(9H)-trione.
2D Structure
Properties
C5H4N4O3
Molecular Formula
168.11
Molecular Weight
g/mol
168.0283
Exact Mass
Da
-1.9
XLogP
Drug-like (Lipinski: < 5)
99.3
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
3
H-Bond Acceptors
332
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
uric acid69-93-2urateLithic acid2,6,8-trioxypurine2,6,8-trihydroxypurine7,9-Dihydro-1H-purine-2,6,8(3H)-trione2,6,8-Trioxopurine1H-Purine-2,6,8-triol1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-Purine-2,6,8(1H,3H,9H)-trione7,9-dihydro-3H-purine-2,6,8-trioneUricum acidum2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trionetrioxopurine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to uric acid
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