(3R,4S,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
Basic information
- Standard SMILES
COC1(c2ccc(Cl)c(Cc3ccc(O)cc3)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
LKIQSYKNOCUQSG-QUIYGKKVSA-N- Molecular formula
- C20H23ClO7
- Average molar mass
- 410.8 g/mol
- Monoisotopic mass
- 410.1132308
Names & identifiers
- Preferred name
- (3R,4S,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
- IUPAC
- (3R,4S,5S,6R)-2-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Names & synonyms
(3R,4S,5S,6R)-2-(4-chloro-3-(4-hydroxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol912917-83-0SCHEMBL13483179LKIQSYKNOCUQSG-QUIYGKKVSA-N
Database identifiers
- PubChem CID
- 11955530
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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