HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 56590484Generated: October 27, 2026
1-(tert-Butyl) 2-methyl (2S,4S)-4-(((4-bromophenyl)sulfonyl)oxy)pyrrolidine-1,2-dicarboxylate
https://huagongshe.com/en/chemical/56590484
Identifiers & Physical Properties
| Molecular formula | C17H22BrNO7S |
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| Average molar mass | 464.3 g/mol |
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| Monoisotopic mass | 463.03004 g/mol |
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| SMILES | COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)OC(C)(C)C |
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| InChIKey | QDSVLWCXASHQMV-JSGCOSHPSA-N |
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| PubChem CID | 56590484 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 108 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 27 |
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| Formal charge | 0 |
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| Complexity | 647 |
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