HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 24831713Generated: October 30, 2026
(2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6-ethylsulfanyl-tetrahydro-pyran-3,4,5-triol
https://huagongshe.com/en/chemical/24831713
Identifiers & Physical Properties
| Molecular formula | C22H27ClO5S |
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| Average molar mass | 439 g/mol |
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| Monoisotopic mass | 438.1267728 g/mol |
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| SMILES | CCOc1ccc(Cc2cc([C@@H]3O[C@H](SCC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 |
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| InChIKey | BTTSHPDHZXNGNH-LXHROKJGSA-N |
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| PubChem CID | 24831713 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 104 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 490 |
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![(2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6-ethylsulfanyl-tetrahydro-pyran-3,4,5-triol molecular structure](/img/chemical/24831713.png)