HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 463511Generated: November 1, 2026
N-(3beta-Hydroxy-30-(((2,2-diethylamino)ethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid
https://huagongshe.com/en/chemical/463511
Identifiers & Physical Properties
| CAS No. | 173106-37-1 |
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| Molecular formula | C47H82N2O4S |
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| Average molar mass | 771.2 g/mol |
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| Monoisotopic mass | 770.59953027 g/mol |
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| SMILES | C=C(CSCCN(CC)CC)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| InChIKey | UIRZXZJPFRPXLS-QRXCWXLESA-N |
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| PubChem CID | 463511 |
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| DTXSID | DTXSID20938311 |
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Chemical & Physical Properties
| XLogP | 9.8 |
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| Topological polar surface area | 115 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 20 |
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| Heavy atoms | 54 |
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| Formal charge | 0 |
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| Complexity | 1,280 |
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