Basic information
- Standard SMILES
OC[C@H]1O[C@](O)(c2ccc(Cl)c(Cc3ccc(C#Cc4ccccn4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
IJVKMGUMFVQODL-WSGIOKLISA-N- Molecular formula
- C26H24ClNO6
- Average molar mass
- 481.9 g/mol
- Monoisotopic mass
- 481.1292152
Names & identifiers
- Preferred name
- 1-Chloro-4-(beta-D-glucopyranos-1-yl)-2-[4-(pyridine-2-yl-ethynyl)-benzyl]-benzene
- IUPAC
- (2R,3R,4S,5S,6R)-2-[4-chloro-3-[[4-(2-pyridin-2-ylethynyl)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Names & synonyms
IJVKMGUMFVQODL-WSGIOKLISA-N1-Chloro-4-(beta-D-glucopyranos-1-yl)-2-[4-(pyridine-2-yl-ethynyl)-benzyl]-benzene
Database identifiers
- PubChem CID
- 86607249
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 733
Related reactions
1 records
Compound notes
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