(1S)-1,5-Anhydro-1-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-8-yl]-D-glucitol

Basic Information

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CAS Number

117060-54-5

Molecular Formula

C21H20O10

Molecular Weight

432.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

734.5°Cat760mmHg

Flash Point

261°C

Solubility

Methanol,DMSO

Refractive Index

1.743

SMILES

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c1cc(c(cc1c2coc3c(c2=O)ccc(c3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C21H20O10/c22-6-14-17(27)18(28)19(29)21(31-14)15-12(24)4-2-9-16(26)10(7-30-20(9)15)8-1-3-11(23)13(25)5-8/h1-5,7,14,17-19,21-25,27-29H,6H2/t14-,17-,18+,19-,21+/m1/s1

InChIKey

GARZMRVWLORUSR-VPRICQMDSA-N

LogP

0.09170000000000111

Topological Polar Surface Area

181.04999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

698

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

4H-1-Benzopyran-4-one,3-(3,4-dihydroxyphenyl)-8-b-D-glucopyranosyl-7-hydroxy-
3’-hydroxy Puerarin
3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
3-HYDROXYPUERARIN
3'-hydroxy Puerarin
Pueraria glycoside
8-C-Glucosyl-7,3',4'-trihydroxyisoflavone
PG 1
NPI 031H
Puerariaglycoside 1
Hydroxypuerarin, 3'-
3'-Hydroxypuerarin
M7KVR1LSN0
3-hydroxy Puerarin
3-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-7-hydroxy-4H-benzopyran-4-one
Y0016
4H-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-7-hydroxy-
(8-
8-C-Glucosyl-7,3',4'-trihydroxyisoflavone,3'-Hydroxypuerarin,NPI 031H,Pueraria glycoside(PG)-1

MDL Number

MFCD20133902

FAQ

What regulatory guidelines apply to (1S)-1,5-Anhydro-1-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117060-54-5)?

This compound is subject to the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labeling. In the EU, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals). FDA and EPA have specific regulations for pharmaceutical and environmental safety, respectively. Detailed safety data sheets (SDS) must be prepared and available for handling and transport.

Are there alternatives to (1S)-1,5-Anhydro-1-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117060-54-5) in synthesis?

Syntheses of this compound can often utilize precursors such as 7-hydroxy-4-methylcoumarin and D-glucitol. Common alternatives include other chromone derivatives and their glycosides. Isomeric forms or analogs like 7-hydroxy-4-hydroxycoumarin can also be used as substitutes depending on the intended application.

What is the market or research trend for (1S)-1,5-Anhydro-1-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117060-54-5)?

The market for this compound is growing due to its use in pharmaceuticals and natural product research. There is increasing interest in its potential as an anti-inflammatory and anti-cancer agent. Research trends focus on understanding its biological activity and developing more efficient synthetic methods.

How should waste containing (1S)-1,5-Anhydro-1-[3-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117060-54-5) be handled?

Waste containing this compound should be collected in appropriate containers and stored under controlled conditions. Upon disposal, incineration is recommended due to its chemical stability and potential for degradation. Environmental precautions include ensuring no contamination of soil or water, and adhering to local waste management regulations. Proper waste disposal services should be utilized to ensure compliance with environmental laws.