3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one
Basic information
- CAS
87597-94-2- Standard SMILES
Cc1c(O)c(=O)ccn1C1OC(CO)C(O)C1O- InChIKey
RYWYYPYGPHEYCG-UHFFFAOYSA-N- Molecular formula
- C11H15NO6
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.0899372
Names & identifiers
- Preferred name
- 3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methylpyridin-4-one
Names & synonyms
87597-94-2NSC352375CHEMBL420893-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-oneDTXSID10319958NSC-352375NCI60_003154
Database identifiers
- CAS
87597-94-2- PubChem CID
- 336835
- DTXSID
DTXSID10319958- ChEMBL
CHEMBL42089
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…