3-Hydroxyguanine
Basic information
- CAS
18905-29-8- Standard SMILES
Nc1nc(=O)c2[nH]cnc2n1O- InChIKey
GUFNQGMGUWTPCE-UHFFFAOYSA-N- Molecular formula
- C5H5N5O2
- Average molar mass
- 167.13 g/mol
- Monoisotopic mass
- 167.04432442
Names & identifiers
- Preferred name
- 3-Hydroxyguanine
- IUPAC
- 2-amino-3-hydroxy-7H-purin-6-one
Names & synonyms
3-Hydroxyguanine18905-29-82-amino-3-hydroxy-7H-purin-6-oneNSC14542530345-22-36H-Purin-6-one, 2-amino-3,7-dihydro-3-hydroxy-G97838TM5ZNSC-145425Guanine 3-N-oxideGuanine, 3-oxideGuanolguanine-3-oxide
Show more names
Ribavirin Impurity 59NCIStruc1_000260NCIStruc2_000148GUANINE, 3-HYDROXY-6H-Purin-6-one, 3-oxideSCHEMBL864452UNII-G97838TM5ZCHEMBL1741561
Database identifiers
- CAS
18905-29-8、30345-22-3- PubChem CID
- 87841
- DTXSID
DTXSID60952692- ChEMBL
CHEMBL1741561- UNII
- G97838TM5Z
- Nikkaji
- J49.266C
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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