3,4,5,6-tetrahydroxy-1-(N-methylanilino)hexan-2-one
Basic information
- CAS
71143-97-0- Standard SMILES
CN(CC(=O)C(O)C(O)C(O)CO)c1ccccc1- InChIKey
FYDAVDMUKWLBFX-UHFFFAOYSA-N- Molecular formula
- C13H19NO5
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.12632271
Names & identifiers
- Preferred name
- 3,4,5,6-tetrahydroxy-1-(N-methylanilino)hexan-2-one
- IUPAC
- 3,4,5,6-tetrahydroxy-1-(N-methylanilino)hexan-2-one
Names & synonyms
3,4,5,6-tetrahydroxy-1-(N-methylanilino)hexan-2-oneDTXSID1031989771143-97-0RefChem:270535DTXCID90271020NSC351576NSC-3515761-Deoxy-1-[methyl(phenyl)amino]hex-2-ulose
Database identifiers
- CAS
71143-97-0- PubChem CID
- 336648
- DTXSID
DTXSID10319897
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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