Basic information
- CAS
111537-49-6- Standard SMILES
C[C@@H]1O[C@@H](Oc2ccc(CCN(C)C)cc2)[C@H](O)[C@H](O)[C@H]1O- InChIKey
WEFXZOOWEFIMCT-JMWBNMSQSA-N- Molecular formula
- C16H25NO5
- Average molar mass
- 311.37 g/mol
- Monoisotopic mass
- 311.1732729
Names & identifiers
- Preferred name
- alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy-
- IUPAC
- (2S,3R,4R,5R,6S)-2-[4-[2-(dimethylamino)ethyl]phenoxy]-6-methyloxane-3,4,5-triol
Names & synonyms
alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy-111537-49-6SCHEMBL19715993DTXSID201496874-[2-(Dimethylamino)ethyl]phenyl 6-deoxy-alpha-L-mannopyranoside
Database identifiers
- CAS
111537-49-6- PubChem CID
- 183333
- DTXSID
DTXSID20149687
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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