Introduction：Basic information about CAS 62812-42-4|.beta.-D-Glucopyranosiduronic acid, phenyl 1-thio-, methyl ester, triacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | .beta.-D-Glucopyranosiduronic acid, phenyl 1-thio-, methyl ester, triacetate |
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| CAS Number | 62812-42-4 | Molecular Weight | 426.438 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 494.3±45.0 °C at 760 mmHg |
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| Molecular Formula | C19H22O9S | Melting Point | 120 °C |
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| MSDS | / | Flash Point | 236.7±16.7 °C |
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Names
| Name | methyl (2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxane-2-carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 494.3±45.0 °C at 760 mmHg |
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| Melting Point | 120 °C |
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| Molecular Formula | C19H22O9S |
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| Molecular Weight | 426.438 |
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| Flash Point | 236.7±16.7 °C |
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| Exact Mass | 426.098450 |
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| PSA | 139.73000 |
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| LogP | 3.65 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.552 |
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| InChIKey | AXUXNCRKZCBMKR-UHFFFAOYSA-N |
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| SMILES | COC(=O)C1OC(Sc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
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Synonyms
| Methyl phenyl 2,3,4-tri-O-acetyl-1-thio-β-D-glucopyranosiduronate |
| β-D-Glucopyranosiduronic acid, phenyl 1-thio-, methyl ester, triacetate |
