2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside

Basic Information

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CAS Number

105471-98-5

Molecular Formula

C23H26O11

Molecular Weight

478.45 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,DMSO,Acetontrile

SMILES

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O=C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OCCC2=CC=C(O)C(O)=C2)O1)/C=C/C3=CC=C(O)C(O)=C3

InChI

InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1

InChIKey

LFKQVVDFNHDYNK-FOXCETOMSA-N

LogP

0.13230000000000042

Topological Polar Surface Area

186.36999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 11

Complexity

673

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Calceorioside B
b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
Calceolarioside B
[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
(E)-beta-D-Glucopyranoside, 2-(3,4-Dihydroxyphenyl)ethyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
Nuomioside A
Calceolarioside-B
Desrhamnosyl isoacteoside
MEGxp0_000508
BDBM50269516
ST24046273
Y0045
3,4-Dihydroxyphenethyl 6-O-[3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosid
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)

MDL Number

MFCD22125003

FAQ

What are the physical and chemical properties of 2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 105471-98-5)?

This compound exhibits a crystalline form with a molecular weight of approximately 516.47 g/mol. It has limited water solubility and moderate solubility in organic solvents. Chemically, it is reactive towards nucleophiles and can undergo hydrolysis and condensation reactions under certain conditions.

How is 2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 105471-98-5) typically synthesized?

It is commonly synthesized via a multi-step process involving the protection of the hydroxyl groups, followed by the coupling of the glucopyranoside with a 3,4-dihydroxyphenyl acrylate derivative. The reaction is catalyzed by a transition metal and proceeds with good selectivity and yield.

What industries use 2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 105471-98-5)?

This compound is primarily used in the pharmaceutical industry for its potential in drug development. It also has applications in the polymer industry as a monomer and in sensors for its optical properties.

What precautions should be taken when handling 2-(3,4-Dihydroxyphenyl)ethyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside (CAS: 105471-98-5)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Handling should be done in a well-ventilated area or fume hood. Spills should be cleaned up with appropriate absorbents and the area should be neutralized. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.