Compound Q&A

What are the physical and chemical properties of Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-, methyl ester, (1S,4aS,5S,7aS)- (CAS: 122413-01-8)?

Answer

Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-, methyl ester, (1S,4aS,5S,7aS)-
This compound is a crystalline solid with a high molecular weight. It has a melting point of approximately 165-167°C and a low solubility in water. Chemically, it is a carboxylic acid ester with hydroxyl and thioether functionalities. It reacts readily with bases and nucleophiles due to its carboxylic acid and hydroxyl groups.

About

English Name Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-, methyl ester, (1S,4aS,5S,7aS)-
Molecular Formula C19H26O12S
Molecular Weight 478.4675 g/mol
SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=C[C@@H]3O)COC(=O)SC)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
InChIKey JNDNZIPLLDTLQK-DILZHRMZSA-N
Last Updated: 2025-10-07 19:42

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