Basic information
- Standard SMILES
COc1cccc(-c2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)n1- InChIKey
GSTIIBFJJUETQN-PHNZBSFLSA-N- Molecular formula
- C23H24ClNO6S
- Average molar mass
- 478 g/mol
Names & identifiers
- Preferred name
- 1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6methoxy-2-pyridyl)-2-thienylmethyl)benzene
- IUPAC
- (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(6-methoxy-2-pyridinyl)thiophen-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
SCHEMBL158025GSTIIBFJJUETQN-PHNZBSFLSA-N1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6-methoxy-2-pyridyl)-2-thienylmethyl)benzene1-(beta-D-glucopyranosyl)-4-chloro-3-(5-(6methoxy-2-pyridyl)-2-thienylmethyl)benzene
Database identifiers
- PubChem CID
- 66608917
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 605
Related reactions
4 records
Compound notes
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