Identifiers & Physical Properties
| CAS No. | 1100821-18-8 |
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| Molecular formula | C24H28N2O6 |
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| Average molar mass | 440.5 g/mol |
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| Monoisotopic mass | 440.19473662 g/mol |
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| SMILES | C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(N)=O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 |
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| InChIKey | KUDPXYYGDAJFNU-OFBLZTNGSA-N |
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| PubChem CID | 25111663 |
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| ChEMBL | CHEMBL1773117 |
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| ChEBI | CHEBI:68238 |
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| DTXSID | DTXSID001100013 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 139 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 890 |
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