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)-

Basic Information

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CAS Number

122413-01-8

Molecular Formula

C19H26O12S

Molecular Weight

478.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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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

InChI

InChI=1S/C19H26O12S/c1-27-16(25)8-6-28-17(31-18-15(24)14(23)13(22)10(4-20)30-18)11-7(3-9(21)12(8)11)5-29-19(26)32-2/h3,6,9-15,17-18,20-24H,4-5H2,1-2H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

InChIKey

JNDNZIPLLDTLQK-DILZHRMZSA-N

LogP

-1.7509999999999983

Topological Polar Surface Area

181.44 Å²

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

769

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Methyl (1s,4as,5s,7as)-1-(β-d-glucopyranosyloxy)-5-hydroxy-7-({[( Methylsulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopent A[c]pyran-4-carboxylate
Paederosidic acid methyl ester
Methyl paederosidate
Methyl paederoside
Methyl pederosidate
Methyl (4aR,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)
N2025
methyl (1S,4aR,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4R,5S,6S)-3,4,5-trihy
Methyl pederosidate,Methyl paederosidate,Methyl paederoside

MDL Number

MFCD18072208

FAQ

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)?

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.

How is 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) typically synthesized?

This compound can be synthesized by reacting a glucopyranoside with a methyl ester of cyclopenta[c]pyran-4-carboxylic acid under catalytic conditions. The synthesis typically involves the use of a Lewis acid catalyst and proceeds with high selectivity and yield, providing a pure product.

What industries use 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)?

This compound is primarily used in the pharmaceutical and polymer industries due to its unique chemical structure. It can be used as a building block in drug synthesis and for the development of biodegradable polymers.

What precautions should be taken when handling 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)?

When handling this compound, it is essential to use proper personal protective equipment (PPE), such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, immediately clean up the area using appropriate absorbent materials and dispose of properly. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) or SDS.