4-(Dimethylamino)phenyl 1-thiohexopyranoside
Basic information
- CAS
5437-24-1- Standard SMILES
CN(C)c1ccc(SC2OC(CO)C(O)C(O)C2O)cc1- InChIKey
ONMPPZRSGPJSDF-UHFFFAOYSA-N- Molecular formula
- C14H21NO5S
- Average molar mass
- 315.39 g/mol
- Monoisotopic mass
- 315.11404394
Names & identifiers
- Preferred name
- 4-(Dimethylamino)phenyl 1-thiohexopyranoside
- IUPAC
- 2-[4-(dimethylamino)phenyl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
5437-24-14-(dimethylamino)phenyl 1-thiohexopyranosideNSC15988DTXSID40280223NSC-15988
Database identifiers
- CAS
5437-24-1- PubChem CID
- 226008
- DTXSID
DTXSID40280223
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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