HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 463510Generated: November 1, 2026
N-(3beta-Hydroxy-30-((2'-hydroxyethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid
https://huagongshe.com/en/chemical/463510
Identifiers & Physical Properties
| CAS No. | 150840-83-8 |
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| Molecular formula | C43H73NO5S |
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| Average molar mass | 716.1 g/mol |
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| Monoisotopic mass | 715.5209456 g/mol |
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| SMILES | C=C(CSCCO)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCCCC(=O)O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| InChIKey | UVSAVYCJNRMRFC-BOWRCTOHSA-N |
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| PubChem CID | 463510 |
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| ChEMBL | CHEMBL275727 |
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| DTXSID | DTXSID30934102 |
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Chemical & Physical Properties
| XLogP | 10.6 |
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| Topological polar surface area | 132 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 50 |
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| Formal charge | 0 |
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| Complexity | 1,210 |
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