Molecular properties
- Formula
- C5H4N4O3
- Molar mass
- 168.11 g·mol−1
- Exact mass
- 168.0283 Da
- 6
- PubChem CID
- 83520
Molecule record
3-hydroxy-7H-purine-2,6-dione
C5H4N4O3
168.11 g/mol
Loading structure
Functional groups
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 13479-29-3
- 1H-Purine-2, 3,7-dihydro-3-hydroxy-
- 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy-
- 3,7-Dihydro-3-hydroxy-1H-purine-2,6-dione
- 3,9-Dihydro-3-hydroxy-1H-purine-2,6-dione
- 3-Hydroxy-3,7-dihydro-1H-purine-2,6-dione
- 3-Hydroxyxanthine
- 634-377-3
Show all 24 synonyms
- CCRIS 343
- DTXCID9081439
- DTXSID90158948
- JQK94071CQ
- N-Hydroxyxanthine
- NSC-145424
- NSC-529141
- NSC145424
- NSC529141
- RefChem:830151
- SCHEMBL864455
- UNII-JQK94071CQ
- WLN: T56 BM DN FNVMVJ FQ
- Xanthine, 3-hydroxy-
- Xanthine-3-N-oxide
- Xanthine-x-N-oxide
Structure identifiers
- Canonical SMILES
- O=c1[nH]c(=O)n(O)c2nc[nH]c12
- Isomeric SMILES
- C1=NC2=C(N1)C(=O)NC(=O)N2O
- InChI
- InChI=1S/C5H4N4O3/c10-4-2-3(7-1-6-2)9(12)5(11)8-4/h1,12H,(H,6,7)(H,8,10,11)
- InChIKey
- WYOFOAXXUITNKN-UHFFFAOYSA-N
- PubChem CID
- 83520
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-hydroxy-7H-purine-2,6-dione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-hydroxy-7H-purine-2,6-dione; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.