2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

Basic Information

View in Editor

CAS Number

18609-17-1

Molecular Formula

C27H30O17

Molecular Weight

626.52 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

Melting Point

198-200 ºC

Boiling Point

1037.2°Cat760mmHg

Flash Point

341.8°C

Refractive Index

1.785

SMILES

View in Editor

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

InChI

InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

InChIKey

RDUAJIJVNHKTQC-UJECXLDQSA-N

LogP

-2.7146999999999997

Topological Polar Surface Area

289.65999999999997 Å²

Hydrogen Bond Donor/Acceptor

11 / 17

Complexity

1040

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

HY-N2183
MFCD02259431
QUOSP
quercetin 3-O-beta-D-
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
18609-17-1
Quercetin 3-glucobioside
3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
27459-71-8
MS-30826
GLXC-13117
Quercetin 3-beta-D-sophoroside
2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
QUERCETIN-3-SOPHOROSIDE
Baimaside
quercetin diglucoside
Q27114777
CHEBI:32082
CS-0019491
F17657
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-
CHEMBL3979974
DTXSID60940039
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-hexopyranosylhexopyranoside
Quercetin, 3-(O-glucosylglucoside)
AKOS032946006
Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
Quercetin-3-O-sophoroside
Quercetin 3-O-sophoroside
quercetin-3-O-sophoroside

MDL Number

MFCD02259431

FAQ

What are the physical and chemical properties of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CAS: 18609-17-1)?

This compound is a dihydroxyflavone glycoside with a molecular weight of approximately 604.2 g/mol. It is sparingly soluble in water and ethanol. Chemically, it exhibits reactivity towards acidic and basic conditions, making it suitable for various chemical transformations and analyses. Its crystalline form allows for stable storage and handling.

How is 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CAS: 18609-17-1) typically synthesized?

This compound is synthesized via a multi-step process, including glycosylation reactions, which involve the coupling of a flavone with two glucose molecules. Commonly used reagents include sodium periodic acid and N-acetyl-D-glucosamine. The synthesis typically employs a series of purification steps to achieve a yield of around 50-70%, with high selectivity towards the desired product.

What industries use 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CAS: 18609-17-1)?

This compound is primarily used in the pharmaceutical industry for the development of natural product-based medicines. It also finds applications in the food industry as a flavor enhancer and in the cosmetic industry as a skin care ingredient. Additionally, it is studied for its potential use in the sensing and semiconductor industries due to its optical properties.

What precautions should be taken when handling 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CAS: 18609-17-1)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of aerosols. Spills should be cleaned up immediately using appropriate absorbents, and the area should be rinsed with water. For more detailed safety information, refer to the Safety Data Sheet (SDS).