Basic information
- CAS
58028-68-5- Standard SMILES
O.O=c1[nH]c2ncnc(N=Nc3ncnc4[nH]c(=O)[nH]c34)c2[nH]1- InChIKey
BVOFDMRROPETAF-UHFFFAOYSA-N- Molecular formula
- C10H8N10O3
- Average molar mass
- 316.24 g/mol
- Monoisotopic mass
- 316.07808416
Names & identifiers
- Preferred name
- 8,8'-Dioxo-6,6'-azopurine hydrate
- IUPAC
- 6-[(8-oxo-7,9-dihydropurin-6-yl)diazenyl]-7,9-dihydropurin-8-one;hydrate
Names & synonyms
58028-68-58,8'-Dioxo-6,6'-azopurine hydrate6,6'-Azobis(1,7-dihydro-8H-purin-8-one) hydrate8H-Purin-8-one, 6,6'-azobis(1,7-dihydro-, monohydrateDTXSID909736136-[2-(8-Hydroxy-9H-purin-6-yl)hydrazinylidene]-1,6-dihydro-8H-purin-8-one--water (1/1)
Database identifiers
- CAS
58028-68-5- PubChem CID
- 3045015
- DTXSID
DTXSID90973613
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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