(4-Aminophenyl)methyl 1-thiohexopyranoside
Basic information
- CAS
35785-20-7- Standard SMILES
Nc1ccc(CS[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1- InChIKey
VNOKYKUWHBAQKG-FHUSYTEZSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839388
Overview
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Names & identifiers
- Preferred name
- (4-Aminophenyl)methyl 1-thiohexopyranoside
- IUPAC
- (2S,3S,4R,5R,6R)-2-[(4-aminophenyl)methylsulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
35785-20-7DTXSID50957171(4-Aminophenyl)methyl 1-thiohexopyranoside(4-Aminophenyl)methyl 1-thio-beta-D-idopyranoside
Database identifiers
- CAS
35785-20-7- PubChem CID
- 71299263
- DTXSID
DTXSID50957171
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
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Compound notes
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