HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 463512Generated: November 1, 2026
N-(3beta-Hydroxy-30-((carboxymethyl)thio)lup-20(29)-en-28-oyl)-11-aminoundecanoic acid
https://huagongshe.com/en/chemical/463512
Identifiers & Physical Properties
| CAS No. | 173106-38-2 |
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| Molecular formula | C43H71NO6S |
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| Average molar mass | 730.1 g/mol |
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| Monoisotopic mass | 729.50021016 g/mol |
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| SMILES | C=C(CSCC(=O)O)[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 | MOXUSMLQESTWJB-MEUQDLEQSA-N |
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| PubChem CID | 463512 |
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| DTXSID | DTXSID80938312 |
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Chemical & Physical Properties
| XLogP | 10.9 |
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| Topological polar surface area | 149 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 51 |
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| Formal charge | 0 |
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| Complexity | 1,280 |
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