3-Hydroxy-1-pentofuranosylpyridin-2(1H)-one
Basic information
- CAS
87597-95-3- Standard SMILES
O=c1c(O)cccn1C1OC(CO)C(O)C1O- InChIKey
GQSAGYKSMRCCRM-UHFFFAOYSA-N- Molecular formula
- C10H13NO6
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.07428713
Names & identifiers
- Preferred name
- 3-Hydroxy-1-pentofuranosylpyridin-2(1H)-one
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridin-2-one
Names & synonyms
87597-95-3AC1L7DOWCHEMBL44444SCHEMBL6672239DTXSID70318801NSC336233NSC-336233NCI60_0032583-Hydroxy-1-pentofuranosylpyridin-2(1H)-one
Database identifiers
- CAS
87597-95-3- PubChem CID
- 333628
- DTXSID
DTXSID70318801- ChEMBL
CHEMBL44444
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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