3-(Dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)propan-2-one
Basic information
- CAS
69712-25-0- Standard SMILES
CC1OCC(O)C(C(O)C(=O)CN(Cc2ccccc2)Cc2ccccc2)O1- InChIKey
NIBVLQIHAJKBNW-UHFFFAOYSA-N- Molecular formula
- C22H27NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.18892296
Names & identifiers
- Preferred name
- 3-(Dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)propan-2-one
- IUPAC
- 3-(dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)propan-2-one
Names & synonyms
DTXSID703198933-(dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)propan-2-one69712-25-0RefChem:275360DTXCID00271016NSC351572NSC-3515721-Deoxy-1-(dibenzylamino)-4,6-O-ethylidenehex-2-ulose
Database identifiers
- CAS
69712-25-0- PubChem CID
- 336644
- DTXSID
DTXSID70319893
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 456
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Compound notes
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