Basic information
- Standard SMILES
CO[C@@]1(c2ccc(Cl)c(Cc3ccc(O)cc3)c2)OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
PLQMVWHUFKRSGX-HUUJSLGLSA-N- Molecular formula
- C21H25ClO8
- Average molar mass
- 440.9 g/mol
Names & identifiers
- Preferred name
- (2S,3R,4S,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-6,6-bis-hydroxymethyl-2-methoxy-tetrahydro-pyran-3,4,5-triol
- IUPAC
- (2S,3R,4S,5S)-2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-6,6-bis(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Names & synonyms
SCHEMBL1768018PLQMVWHUFKRSGX-HUUJSLGLSA-N(2S,3R,4S,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-6,6-bis-hydroxymethyl-2-methoxy-tetrahydro-pyran-3,4,5-triol
Database identifiers
- PubChem CID
- 67154050
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 553
Related reactions
5 records
Compound notes
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