(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate

Basic Information

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CAS Number

51005-44-8

Molecular Formula

C25H30O13

Molecular Weight

538.5 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

Methanol, Water

SMILES

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COC1=CC=C(\C=C\C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O

InChI

InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1

InChIKey

LRHHPZILMPIMIY-GGKKSNITSA-N

LogP

-1.6117999999999981

Topological Polar Surface Area

197.13 Å²

Hydrogen Bond Donor/Acceptor

6 / 13

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Minecoside
&acirc
(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-1a-(hydroxymeth yl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6 -yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate
-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)- 1a,1b,2,5a,6,6a-hexahydro-6-[[(2E)-3-(3- hydroxy-4-methoxyphenyl)-1-oxo-2-propenyl]- oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta- [1,2-c]pyran-2-yl
6-O-trans-Isoferuloylcatalpol
[ "6-O-trans-Isoferuloylcatalpol" ]
Oxireno[4,5]cyclopenta[1,2-c]pyran, β-D-glucopyranoside deriv.,Isoferuloyl catalpol

MDL Number

MFCD20274711

FAQ

What are the physical and chemical properties of (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8)?

This compound is a cyclic ether with a sugar moiety and an acrylate ester. It has a molecular weight of approximately 530.4 g/mol. The compound is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is reactive towards nucleophiles and can undergo acid-catalyzed ring-opening reactions. It crystallizes in the form of white or off-white crystals.

How is (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8) typically synthesized?

This compound can be synthesized via a multistep process involving the protection of the acrylate group, subsequent ring closure with a sugar derivative, and removal of protecting groups. The synthesis requires the use of protecting agents like benzyl chloride and strong acid conditions for ring closure. Specific catalysts such as palladium complexes might be used for regioselective ring closure.

What industries use (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8)?

This compound is primarily used in pharmaceuticals for its potential as a drug candidate due to its chemical structure. It may also find applications in the development of sensors and semiconductors due to its unique functional groups and molecular properties.

What precautions should be taken when handling (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8)?

Proper personal protective equipment (PPE), including gloves, safety goggles, and lab coat, is essential when handling this compound. It should be stored in a cool, dry environment away from direct sunlight. In case of spill, use appropriate absorbent materials, and consult the Safety Data Sheet (SDS) for detailed instructions on disposal and emergency response procedures.

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(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate | CAS No. 51005-44-8

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Safety Information

Storage Conditions

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8)?

How is (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8) typically synthesized?

What industries use (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8)?

What precautions should be taken when handling (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate (CAS: 51005-44-8)?

Related Compounds

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