Uric Acid 99% AR
Chemical Information
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.
| CAS Number | 69-93-2 |
| PubChem CID | 1175 |
| IUPAC Name | 7,9-dihydro-3H-purine-2,6,8-trione |
| Molecular Formula | C5H4N4O3 |
| Molecular Weight | 168.11 |
| XLogP | -1.9 |
| Topological Polar Surface Area | 99.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 332 |
| Property | Value |
|---|---|
| Molecular Weight | 168.11 |
| XLogP3 | -1.9 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.02834000 |
| Monoisotopic Mass | 168.02834000 |
| Topological Polar Surface Area | 99.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 332 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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