(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside

Basic Information

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CAS Number

31712-49-9

Molecular Formula

C22H24O11

Molecular Weight

462.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Boiling Point

586.2°Cat760mmHg

Density

1.458

Flash Point

223°C

Solubility

N/A

Refractive Index

1.671

SMILES

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COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O

InChI

InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1

InChIKey

ADSYMQORONDIDD-ZJHVPRRPSA-N

LogP

0.058499999999999275

Topological Polar Surface Area

179.28 Å²

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

677

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

BDBM50503752
CHEMBL4460302
E80554
AKOS032948812
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
CHEBI:59015
31712-49-9
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside
A934558
Hesperitin-7-beta-D-glucoside
Eriodictiol-7-glucoside
SCHEMBL14167583
DTXSID80953661
MS-28548
HY-125130
hesperetin 7-O-beta-D-glucoside
CS-0089420
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside
(2S)-hesperetin 7-O-beta-D-glucoside
Hesperetin 7-O-glucoside
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Q23055243
4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-,(2S)-
4H-1-Benzopyran-4-one,7-(b-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyph...
5,7,3'-trihydroxy-4'-methoxyl flavanone 7-O-glucoside
HESPERETIN
Glucohesperetin
[ "Glucohesperetin" ]
Hesperetin 7-glucoside
Hesperitin-7-beta-D-
Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-β-D-glucopyranoside,Glucopyranoside, hesperetin-7, β-D-,...

MDL Number

MFCD20275042

FAQ

What are the physical and chemical properties of (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside (CAS: 31712-49-9)?

The compound is a crystalline solid with a molecular weight of approximately 482.5 g/mol. It has a solubility of about 0.1 g/100 mL in water. Chemically, it is reactive towards bases and exhibits good stability under acidic conditions. It can undergo hydrolysis under basic conditions, and its reactivity is influenced by its chromen and glucopyranoside functionalities.

How is (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside (CAS: 31712-49-9) typically synthesized?

This compound can be synthesized via a multistep process involving glycosylation of a chromen derivative. Commonly, the chromen is first protected, followed by a coupling reaction with the desired sugar moiety. The protecting group is then removed to yield the final compound. This synthesis typically involves the use of catalysts and solvents like acetic anhydride and acetic acid with controlled reaction conditions to ensure high selectivity and yield.

What industries use (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside (CAS: 31712-49-9)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find applications in the field of biosensors due to its specific recognition properties. Its chromen and glucopyranoside structures make it suitable for various applications, including in the development of new materials and functional polymers.

What precautions should be taken when handling (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside (CAS: 31712-49-9)?

When handling this compound, ensure to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, neutralize any potential acidic or basic reactions with appropriate reagents and dispose of waste according to safety data sheet (SDS) guidelines. Always refer to the SDS for specific handling instructions.