5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride

Basic Information

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CAS Number

6906-39-4

Molecular Formula

C22H23ClO11

Molecular Weight

498.86 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

No data available

Boiling Point

No data available

Flash Point

No data available

Solubility

N/A

Vapor Pressure

No data available

SMILES

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COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O.[Cl-]

InChI

InChI=1S/C22H22O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26);1H/t17-,18-,19+,20-,22-;/m1./s1

InChIKey

VDTNZDSOEFSAIZ-VXZFYHBOSA-N

LogP

-2.31100

Complexity

638

Safety Information

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Hazard Statement

Storage Conditions

2-8℃

Synonyms & References

English

AS-83202
CS-W020867
Peonidin 3-O-glucoside chloride, >=95% (HPLC)
Q27256313
Glucopeonidin
DTXSID40219119
Peonidin 3-Glucoside Chloride
6906-39-4
Peonidin-3-O-glucoside chloride
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
peonidin 3-glucoside
Peonidin 3-O-glucoside
Peonidin 3-O-
Peonidin monoglucoside
1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-, CHLORIDE (1:1)
Peonidin 3-O-glucoside chloride, analytical standard
HY-W040127
(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
3419IIT8I0
A-glucopyranoside chloride
PEONIDIN-3-GLUCOSIDE CHLORIDE
Peonidin 3-monoglucoside
MFCD00189435
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1??-chromen-1-ylium chloride
Peonidin 3-O-glucoside chloride
PEONIDIN-3-MONOGLUCOSIDE CHLORIDE
Peonidin 3-O-glucoside (chloride)
PEONIDIN CHLORIDE 3-MONOGLUCOSIDE
AKOS030573531
UNII-3419IIT8I0
3-(Glucosyloxy)-4',5,7-trihydroxy-3'-methoxyflavylium chloride

MDL Number

MFCD00189435

FAQ

What are the physical and chemical properties of 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 6906-39-4)?

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride is a crystalline solid with a molecular weight of approximately 652.68 g/mol. It has a high solubility in water and ethanol. Chemically, it is stable but can react with strong acids and bases. This compound is often used in pharmaceutical and analytical applications due to its unique chemical structure.

How is 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 6906-39-4) typically synthesized?

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride is synthesized through a multi-step process involving the condensation of 5,7-dihydroxy-3-chromeniumyl beta-D-glucopyranoside with 4-hydroxy-3-methoxyphenol. This reaction is typically carried out in the presence of an acid catalyst, such as sulfuric acid, with a yield of around 75-80%. The process is conducted under mild conditions to ensure high selectivity for the desired product.

What industries use 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 6906-39-4)?

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride finds applications in the pharmaceutical industry for its potential use as a bioactive compound. It is also utilized in the analytical chemistry field for its reactivity and stability. Additionally, this compound can be used in the development of sensors and as a precursor in the synthesis of other chromogenic materials.

What precautions should be taken when handling 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 6906-39-4)?

When handling 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a well-ventilated area and kept away from strong acids and bases. In case of spillage, it is recommended to use appropriate spill cleanup kits and dispose of any contaminated materials according to local regulations. Always refer to the safety data sheet (SDS) for detailed instructions.