3-(Dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)propan-2-one
Basic information
- CAS
69863-97-4- Standard SMILES
CCCC1OCC(O)C(C(O)C(=O)CN(Cc2ccccc2)Cc2ccccc2)O1- InChIKey
PCUBUZPKKMIXRP-UHFFFAOYSA-N- Molecular formula
- C24H31NO5
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.22022309
Names & identifiers
- Preferred name
- 3-(Dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)propan-2-one
- IUPAC
- 3-(dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)propan-2-one
Names & synonyms
DTXSID903198953-(dibenzylamino)-1-hydroxy-1-(5-hydroxy-2-propyl-1,3-dioxan-4-yl)propan-2-one69863-97-4RefChem:275361DTXCID20271018NSC351574NSC-3515744,6-O-Butylidene-1-deoxy-1-(dibenzylamino)hex-2-ulose
Database identifiers
- CAS
69863-97-4- PubChem CID
- 336646
- DTXSID
DTXSID90319895
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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