HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58466192Generated: October 25, 2026
(S)-4-(2-amino-5'-fluoro-2'-(5-(prop-1-ynyl)pyridin-3-yl)-5H-spiro[oxazole-4,9'-xanthene]-7'-yl)-2-methylbut-3-yn-2-ol
https://huagongshe.com/en/chemical/58466192
Identifiers & Physical Properties
| Molecular formula | C28H22FN3O3 |
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| Average molar mass | 467.5 g/mol |
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| Monoisotopic mass | 467.16451973 g/mol |
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| SMILES | CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(C#CC(C)(C)O)cc(F)c2O3)c1 |
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| InChIKey | ZQGOKJBKWRSCEY-NDEPHWFRSA-N |
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| PubChem CID | 58466192 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 90 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 986 |
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![(S)-4-(2-amino-5'-fluoro-2'-(5-(prop-1-ynyl)pyridin-3-yl)-5H-spiro[oxazole-4,9'-xanthene]-7'-yl)-2-methylbut-3-yn-2-ol molecular structure](/img/chemical/58466192.png)