Identifiers & Physical Properties
| CAS No. | 72203-22-6 |
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| Molecular formula | C57H75N9O18 |
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| Average molar mass | 1,174.3 g/mol |
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| Monoisotopic mass | 1,173.52300658 g/mol |
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| SMILES | CCC1(c2ccccc2)C(=O)N(CC(COC(C)C)OC(N)=O)C(=O)N(CC(COC(C)C)OC(N)=O)C1=O.CCC1(c2ccccc2)C(=O)NC(=O)N(CC(COC(C)C)OC(N)=O)C1=O.CCC1(c2ccccc2)C(=O)NC(=O)NC1=O |
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| InChIKey | HVWLDUBQDGZXJH-UHFFFAOYSA-N |
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| PubChem CID | 192004 |
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Chemical & Physical Properties
| Topological polar surface area | 384 |
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| Hydrogen bond donors | 6 |
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| Hydrogen bond acceptors | 18 |
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| Rotatable bonds | 27 |
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| Heavy atoms | 84 |
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| Formal charge | 0 |
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| Complexity | 1,790 |
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