Alloxan
Chemical Information
Alloxan is a member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups. It has a role as a metabolite and a hyperglycemic agent. It is functionally related to a barbituric acid.
| CAS Number | 50-71-5 |
| PubChem CID | 5781 |
| IUPAC Name | 1,3-diazinane-2,4,5,6-tetrone |
| Molecular Formula | C4H2N2O4 |
| Molecular Weight | 142.07 |
| XLogP | -1 |
| Topological Polar Surface Area | 92.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 222 |
| Property | Value |
|---|---|
| Molecular Weight | 142.07 |
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 142.00145655 |
| Monoisotopic Mass | 142.00145655 |
| Topological Polar Surface Area | 92.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 222 |
| 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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