Identifiers & Physical Properties
| CAS No. | 24557-79-7 |
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| Molecular formula | C6H14O6 |
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| Average molar mass | 182.17 g/mol |
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| Monoisotopic mass | 182.07903816 g/mol |
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| SMILES | OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO |
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| InChIKey | FBPFZTCFMRRESA-UNTFVMJOSA-N |
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| PubChem CID | 5460044 |
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| ChEBI | CHEBI:18202 |
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| EC No. | 246-314-3 |
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| DTXSID | DTXSID901337629 |
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Chemical & Physical Properties
| XLogP | -3.1 |
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| Topological polar surface area | 121 |
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| Hydrogen bond donors | 6 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 105 |
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| Physical Description | Off-white to cream-colored solid[Acros Organics MSDS] |
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| Collision Cross Section | 129.61 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]143 Ų [M+Na]+ [CCS Type: DT |
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| Boiling point | 494.9±0.0 °C(Predicted) |
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| Density | 1.596±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 13.14±0.20(Predicted) |
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| FDA UNII | BP8KW73WMG |
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Safety & Regulations
| Hazards summary | May cause irritation[Acros Organics MSDS] |
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