Basic information
- CAS
87597-93-1- Standard SMILES
COc1c(C)n(C2OC(CO)C(O)C2O)ccc1=O- InChIKey
MCIDEAOVFVAMOP-UHFFFAOYSA-N- Molecular formula
- C12H17NO6
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.10558726
Names & identifiers
- Preferred name
- 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxy-2-methylpyridin-4-one
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxy-2-methylpyridin-4-one
Names & synonyms
NSC35019087597-93-1DTXSID50319775NSC-3501903-Methoxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one
Database identifiers
- CAS
87597-93-1- PubChem CID
- 336380
- DTXSID
DTXSID50319775
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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