2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate

Basic Information

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CAS Number

85643-19-2

Molecular Formula

C22H26O11

Molecular Weight

466.44 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

Melting Point

157.0 to 161.0 deg-C

Solubility

Methanol,Ethanol,Acetone,Ethyl Acetate,DMSO,Acetontrile,Water

SMILES

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COc1cccc(c1C(=O)OCc2cc(ccc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC

InChI

InChI=1S/C22H26O11/c1-29-14-4-3-5-15(30-2)17(14)21(28)31-10-11-8-12(24)6-7-13(11)32-22-20(27)19(26)18(25)16(9-23)33-22/h3-8,16,18-20,22-27H,9-10H2,1-2H3/t16-,18-,19+,20-,22-/m1/s1

InChIKey

SJJRKHVKAXVFJQ-QKYBYQKWSA-N

LogP

-0.05490000000000039

Topological Polar Surface Area

164.37 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

607

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

curculigoside
[5-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl-2,6-dimethoxybenzoate
CurculigosideA
β-D-Glucopyranoside,2-[[(2,6-diMethoxybenzoyl)oxy]Methyl]-4-hydroxyphenyl
2-[[(2,6-Dimethoxybenzoyl)oxy]methyl]-4-hydroxyphenyl β-D-Glucopyranoside
[ "" ]
curculigoside A
Curculigoside,(S)
s5457
trihydroxy-6-(hydroxymethyl)tetrahydro
V1511
N2324
643C192
Q5194662
5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-
beta-D-Glucopyranoside, 2-(((2,6-dimethoxybenzoyl)oxy)methyl)-4-hydroxyphenyl
Curculigoside
Curculigoside 1,Curculigoside A,Curculigoside I

MDL Number

MFCD00800689

FAQ

What is 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2)?

2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2) is a glycosylated ester compound. It contains a benzyl group attached to a benzoate moiety, with additional methoxy and hydroxy functional groups. The compound is characterized by its molecular structure involving a glucose unit, making it relevant in pharmaceutical and biochemical research due to its potential for bioavailability and metabolic interactions.

What are the main uses of 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2)?

This compound is primarily used in pharmaceutical research as a potential drug candidate or excipient. It may also find applications in the development of bioactive molecules due to its glycosylated structure. In industrial and research contexts, it is used for studying glucose conjugation and its effects on compound stability and solubility.

Is 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2) safe?

The safety of 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2) has not been extensively documented. As with many chemical compounds, it is recommended to handle it with appropriate protective measures, such as gloves and ventilation, and to follow safety guidelines for handling ester-based and glycosylated substances. Further toxicological studies are needed for comprehensive safety evaluation.

How should 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2) be stored?

To maintain stability and prevent degradation, 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzyl 2,6-dimethoxybenzoate (CAS: 85643-19-2) should be stored in a cool, dry, and dark place. It is best kept in a sealed container at a temperature below 25°C and away from moisture and light exposure. Proper storage is essential to preserve its chemical integrity and functionality.