HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123748656Generated: November 4, 2026
tert-butyl ((3aR,5R,6S,7R,7aR)-6-(benzyloxy)-7-fluoro-5-((R)-2,2,2-trifluoro-1-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-2-yl)(methyl)carbamate
https://huagongshe.com/en/chemical/123748656
Identifiers & Physical Properties
| Molecular formula | C21H26F4N2O5S |
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| Average molar mass | 494.5 g/mol |
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| Monoisotopic mass | 494.14985576 g/mol |
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| SMILES | CN(C(=O)OC(C)(C)C)C1=N[C@@H]2[C@@H](F)[C@@H](OCc3ccccc3)[C@@H]([C@@H](O)C(F)(F)F)O[C@@H]2S1 |
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| InChIKey | DVNPKDBOSPQHOT-NWHWRWDZSA-N |
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| PubChem CID | 123748656 |
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Chemical & Physical Properties
| XLogP | 3.7 |
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| Topological polar surface area | 106 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 726 |
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![tert-butyl ((3aR,5R,6S,7R,7aR)-6-(benzyloxy)-7-fluoro-5-((R)-2,2,2-trifluoro-1-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazol-2-yl)(methyl)carbamate molecular structure](/img/chemical/123748656.png)