Basic information
- Standard SMILES
OC[C@H]1O[C@@H](c2cc(Cc3cc4ccccc4s3)cc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
ZIXXJVLNVXHQDB-HFBCXCLPSA-N- Molecular formula
- C25H24O5S
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- (2S,3R,4R,5S,6R)-2-[3-(Benzo[b]thiophen-2-ylmethyl)naphthalen-1-yl]-6-hydroxymethyltetrahydro-pyran-3,4,5-triol
- IUPAC
- (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)naphthalen-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
SCHEMBL1773756ZIXXJVLNVXHQDB-HFBCXCLPSA-N(2S,3R,4R,5S,6R)-2-[3-(Benzo[b]thiophen-2-ylmethyl)naphthalen-1-yl]-6-hydroxymethyltetrahydro-pyran-3,4,5-triol
Database identifiers
- PubChem CID
- 11633504
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 604
Related reactions
1 records
Compound notes
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