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

Basic Information

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CAS Number

117047-07-1

Molecular Formula

C22H22O10

Molecular Weight

446.41 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

Melting Point

212-213 ºC

Solubility

Methanol,DMSO

SMILES

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OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(c(c1)OC)O

InChI

InChI=1S/C22H22O10/c1-30-14-6-9(2-4-12(14)24)11-8-31-21-10(17(11)26)3-5-13(25)16(21)22-20(29)19(28)18(27)15(7-23)32-22/h2-6,8,15,18-20,22-25,27-29H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1

InChIKey

HQQUZVFMUSCUJS-PGPONNFDSA-N

LogP

0.3947000000000001

Topological Polar Surface Area

170.04999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

713

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

4H-1-Benzopyran-4-one,8-b-D-glucopyranosyl-7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-
3’-Methoxy Puerarin
3`- Methoxy Puerarin
1,3-DICAFFEOYLQUINIC ACID
3'-Methoxy Puerarin
3-METHOXY PUERARIN
8-beta-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Puerariaglycoside 3
Methoxypuerarin, 3'-
3’-MethoxyPuerarin
BCP18759
7-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ch
3'-Methoxypuerarin
3 Pound feminine-Methoxy Puerarin
3 pound feminine- Methoxy Puerarin
NPI 031F,PG 3

MDL Number

MFCD21363095

FAQ

What are the physical and chemical properties of (1S)-1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117047-07-1)?

The compound is a yellow crystalline solid with a molecular weight of approximately 466.43 g/mol. It has a solubility of about 20 mg/mL in water and 1 g/mL in ethanol. It exhibits low reactivity under normal conditions but can undergo hydrolysis under acidic conditions. The compound is stable under neutral to basic conditions.

How is (1S)-1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117047-07-1) typically synthesized?

This compound is synthesized via a multi-step process involving protection of the hydroxyl groups, condensation of an appropriate chromone derivative with D-glucitol, and subsequent deprotection. The synthesis typically requires the use of strong acids, bases, and Lewis acids as catalysts. The overall yield is moderate, around 40-50%.

What industries use (1S)-1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117047-07-1)?

This compound is primarily used in the pharmaceutical industry for its anti-inflammatory and analgesic properties. It is also explored in the development of new drug candidates. Additionally, it has potential applications in the sensor and polymer industries due to its molecular structure and reactivity.

What precautions should be taken when handling (1S)-1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol (CAS: 117047-07-1)?

When handling this compound, it is essential to use appropriate Personal Protective Equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. In case of spill, immediately clean up with appropriate absorbent materials and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.