Basic information
- CAS
67708-22-9- Standard SMILES
O=C1NC(=O)C2(O)NC(=O)NC2(O)N1- InChIKey
JGTIMIQIADGGCL-UHFFFAOYSA-N- Molecular formula
- C5H6N4O5
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.0338193
Overview
diabetogenic in rats; structure given in first source
Names & identifiers
- Preferred name
- 4,5-Dihydro-4,5-dihydroxyuric acid
- IUPAC
- 4,5-dihydroxy-7,9-dihydro-3H-purine-2,6,8-trione
- English name
- 4,5-dihydro-4,5-dihydroxyuric acid
- Molecular formula
- C5H6N4O5
- Molecular weight
- 202.12
Names & synonyms
4,5-Dihydro-4,5-dihydroxyuric acid67708-22-91H-Purine-2,6,8(3H)-trione, tetrahydro-4,5-dihydroxy-RefChem:96481NSC722804,5-dihydroxy-7,9-dihydro-3H-purine-2,6,8-trioneNSC 72280CHEMBL170973DTXSID70987056NSC-722804H-Purine-2,4,5,6,8(9H)-pentol
Database identifiers
- CAS
67708-22-9- PubChem CID
- 73540
- DTXSID
DTXSID70987056- ChEMBL
CHEMBL170973- Nikkaji
- J3.168.041G
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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