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Basic information
- Standard SMILES
CCc1ccc(Cc2cc3c(cc2Cl)O[C@@H](OC)[C@]32O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
DWHFTKGKBXNITB-ZGRTYHRDSA-N- Molecular formula
- C23H27ClO7
- Average molar mass
- 450.9 g/mol
Names & identifiers
- Preferred name
- (2R,2'S,3'R,4'S,5'S,6'R)-6-chloro-5-(4-ethylbenzyl)-6'-(hydroxymethyl)-2-methoxy-3',4',5',6'-tetrahydro-2H-spiro[benzofuran-3,2'-pyran]-3',4',5'-triol
- IUPAC
- (2R,3S,3'R,4'S,5'S,6'R)-6-chloro-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)-2-methoxyspiro[2H-1-benzofuran-3,2'-oxane]-3',4',5'-triol
Names & synonyms
SCHEMBL3798755DWHFTKGKBXNITB-ZGRTYHRDSA-N(2R,2'S,3'R,4'S,5'S,6'R)-6-chloro-5-(4-ethylbenzyl)-6'-(hydroxymethyl)-2-methoxy-3',4',5',6'-tetrahydro-2H-spiro[benzofuran-3,2'-pyran]-3',4',5'-triol
Database identifiers
- PubChem CID
- 68792003
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Related reactions
1 records
Compound notes
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