Basic information
- Standard SMILES
[N-]=[N+]=Nc1ccc(COC[C@H]2O[C@@H](Sc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1Cl- InChIKey
XQDJNEWRLGJYKU-FQBWVUSXSA-N- Molecular formula
- C19H20ClN3O5S
- Average molar mass
- 437.9 g/mol
Names & identifiers
- Preferred name
- Phenyl 6-O-(4-azido-3-chlorobenzyl)-1-thio-beta-D-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6S)-2-[(4-azido-3-chlorophenyl)methoxymethyl]-6-phenylsulfanyloxane-3,4,5-triol
Names & synonyms
XQDJNEWRLGJYKU-FQBWVUSXSA-NPhenyl 6-O-(4-azido-3-chlorobenzyl)-1-thio-beta-D-glucopyranoside
Database identifiers
- PubChem CID
- 54482702
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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