Identifiers & Physical Properties
| CAS No. | 1887228-22-9 |
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| Molecular formula | C7H14O5 |
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| Average molar mass | 178.18 g/mol |
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| Monoisotopic mass | 178.08412354 g/mol |
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| SMILES | CO[C@H]1[C@H](O)[C@H](O)[C@H](C)O[C@H]1O |
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| InChIKey | YLAMTMNJXPWCQN-CXNFULCWSA-N |
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| PubChem CID | 444792 |
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Chemical & Physical Properties
| XLogP | -1.6 |
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| Topological polar surface area | 79.2 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 151 |
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| Drugs | Pharmaceuticals -> Listed in ZINC15 |
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| Melting point | 150 - 152 °C |
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| Physical Description | Solid |
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