1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)-3-(N-methylanilino)propan-2-one
Basic information
- CAS
69863-96-3- Standard SMILES
CCCC1OCC(O)C(C(O)C(=O)CN(C)c2ccccc2)O1- InChIKey
ZBODXKBUNXXTKF-UHFFFAOYSA-N- Molecular formula
- C17H25NO5
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.1732729
Names & identifiers
- Preferred name
- 1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)-3-(N-methylanilino)propan-2-one
- IUPAC
- 1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)-3-(N-methylanilino)propan-2-one
Names & synonyms
DTXSID303198941-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)-3-(N-methylanilino)propan-2-one69863-96-3RefChem:230821DTXCID60271017NSC351573NSC-3515734,6-O-Butylidene-1-deoxy-1-[methyl(phenyl)amino]hex-2-ulose
Database identifiers
- CAS
69863-96-3- PubChem CID
- 336645
- DTXSID
DTXSID30319894
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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