2-[(aminooxy)methyl]-5-hydroxy-4H-pyran-4-one p-toluenesulphonate
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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NOCc1cc(=O)c(O)co1- InChIKey
NLPKNVDSGSDQOY-UHFFFAOYSA-N- Molecular formula
- C13H15NO7S
- Average molar mass
- 329.33 g/mol
Names & identifiers
- Preferred name
- 2-[(aminooxy)methyl]-5-hydroxy-4H-pyran-4-one p-toluenesulphonate
- IUPAC
- 2-(aminooxymethyl)-5-hydroxypyran-4-one;4-methylbenzenesulfonic acid
Names & synonyms
SCHEMBL9143019NLPKNVDSGSDQOY-UHFFFAOYSA-N2-[(aminooxy)methyl]-5-hydroxy-4H-pyran-4-one p-toluenesulphonate
Database identifiers
- PubChem CID
- 19917871
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Related reactions
1 records
Compound notes
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