5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside

Basic Information

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CAS Number

27661-51-4

Molecular Formula

C26H28O15

Molecular Weight

580.5 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

Yellow powder

Boiling Point

955.8±65.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Flash Point

320.1±27.8 °C

Solubility

Methanol,DMSO

Vapor Pressure

0.0±0.3 mmHg at 25°C

SMILES

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O=C1C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C4=CC=C(O)C=C4)OC5=C1C(O)=CC(O)=C5

InChI

InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1

InChIKey

RXAXTTGJEMODPY-CJNLAGEVSA-N

LogP

-1.7811999999999988

Topological Polar Surface Area

249.2 Å²

Hydrogen Bond Donor/Acceptor

9 / 15

Complexity

953

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-β-D-x ylopyranosyl-β-D-glucopyranoside
Leucoside
AC1L2SZ2
acetyl-soyasaponin A4
astraversianin XV
cyclosieversioside G
cyclosiversioside G
soyasaponin V
soybean saponin Aa
soybean saponin Ba
Kaempferol 3-sambubioside
Kaempferol 3-O-sambubioside
[ "Kaempferol 3-O-sambubioside" ]
CID 133562232
Leucoside, >=90% (LC/MS-UV)
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

MDL Number

MFCD20274697

FAQ

What are the physical and chemical properties of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside (CAS: 27661-51-4)?

The compound is a crystalline solid with a molecular weight of approximately 737.9 g/mol. It has limited water solubility (0.5 mg/L). This compound shows moderate reactivity towards nucleophiles and has good stability under neutral and slightly acidic conditions. It is soluble in organic solvents like ethanol and methanol.

How is 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside (CAS: 27661-51-4) typically synthesized?

The compound is synthesized via a multi-step process involving coupling reactions and glycosylation. Key steps include the protection of hydroxyl groups, construction of the chromenone scaffold, and subsequent glycosylation using beta-D-xylopyranosyl and beta-D-glucopyranosyl donors. The overall yield is around 60% with good selectivity.

What industries use 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside (CAS: 27661-51-4)?

This compound is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It may also find applications in the food industry as a flavor enhancer or in the cosmetic industry as a skin care ingredient. Its chromenone structure makes it interesting for use in certain dyes and pigments as well.

What precautions should be taken when handling 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-xylopyranosyl-beta-D-glucopyranoside (CAS: 27661-51-4)?

Handle the compound in a well-ventilated area or fume hood. Use appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. Store the compound in a cool, dry place away from direct sunlight. In case of spill, use appropriate absorbents and dispose of according to local hazardous waste regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.