5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Basic Information

View in Editor

CAS Number

20188-85-6

Molecular Formula

C29H34O16

Molecular Weight

638.58 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

Boiling Point

947.6±65.0 °C(Predicted)

Density

1.66±0.1 g/cm3(Predicted)

Flash Point

308°C

SMILES

View in Editor

COC1=CC(O)=C2C(=O)C(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)=C(OC2=C1)C1=CC=C(OC)C(O)=C1

InChI

InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(44-17)45-27-21(34)18-14(31)7-12(39-2)8-16(18)43-26(27)11-4-5-15(40-3)13(30)6-11/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1

InChIKey

VVSFMIXQNYRGMG-BDAFLREQSA-N

LogP

-1.0810999999999995

pKa

6.01±0.40(Predicted)

Topological Polar Surface Area

247.42999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1060

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

Ombuin-3beta-rutinoside
3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-3',5-dihydroxy-4',7-dimethoxyflavone
3-[6-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy]-3',5-dihydroxy-4',7-dimethoxyflavone
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Gynostemma pentaphyllum,antimicrobial,Parkinson?s disease,Bacterial,inhibit,Ombuoside,bacteria,gram-negative,ros,Inhibitor,radical,antioxidant
4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-
Ombuoside
4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-
Ombuin 3-O-rutinoside

MDL Number

MFCD00238653

FAQ

What are the physical and chemical properties of 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 20188-85-6)?

The compound is a crystalline solid with a molecular weight of approximately 728.85 g/mol. It exhibits good solubility in polar solvents like methanol and ethanol, but is only slightly soluble in water. This compound is chemically stable but can undergo hydrolysis under acidic conditions. It shows limited reactivity with common reagents used in organic synthesis.

How is 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 20188-85-6) typically synthesized?

This compound is typically synthesized through a multistep process involving the coupling of a chromone derivative with a glycosylated glucose derivative. The synthesis involves the use of a palladium catalyst for the cross-coupling reaction, ensuring high selectivity and yield. Detailed conditions, including temperature and solvent, must be carefully controlled to achieve the desired product.

What industries use 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 20188-85-6)?

This compound is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It may also find applications in the development of new sensors and materials, particularly in areas requiring specific chromophoric groups. Further research is ongoing to explore its use in semiconductors and polymers.

What precautions should be taken when handling 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 20188-85-6)?

When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and all waste should be disposed of in accordance with local regulations. Refer to the Safety Data Sheet (SDS) for comprehensive safety information.