Molecule ID: 135459889

IUPAC Name: 6,8-dioxo-7,9-dihydro-1H-purin-2-olate

Description: The molecule is a urate(1-). It is a conjugate base of a 7H-purine-2,6,8-triol. It is a conjugate acid of a 2,6,8-trioxo-3,6,8,9-tetrahydro-2H-purine-1,7-diide. It is a tautomer of a 6,8-dioxo-6,7,8,9-tetrahydro-1H-purin-2-olate, a 2,8-dihydroxy-1H-purin-6-olate and a 2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-olate.

SMILES: [O-]c1nc(O)nc2[nH]c(O)nc12

SELFIES: [O-1][C][=N][C][Branch1][C][O][=N][C][NH1][C][Branch1][C][O][=N][C][Ring1][O][=Ring1][=Branch1]

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)/p-1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -0.9