5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride | CAS No. 18466-51-8

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

Basic Information

CAS Number

18466-51-8

Molecular Formula

C21H21ClO10

Molecular Weight

468.8 g/mol

AD

Basic Physical Properties

Physical State

Powder

Solubility

N/A

C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O.[Cl-]

InChI

InChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1

InChIKey

CAHGSEFWVUVGGL-UBNZBFALSA-N

LogP

-2.31960

Complexity

585

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • 18466-51-8
  • 3-(Glucosyloxy)-4',5,7-trihydroxyflavylium chloride
  • PELARGONIDIN 3-GLUCOSIDE [MI]
  • DTXSID00939866
  • pelargonidin-3-O-glucoside
  • PELARGONIDIN 3-O-.BETA.-D-GLUCOPYRANOSIDE
  • (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
  • CHEBI:36122
  • PELARGONIDIN 3-MONOGLUCOSIDE
  • 1ST40267
  • PELARGONIDIN 3-.BETA.-GLUCOSIDE
  • Callistephin chloride
  • 3,4',5,7-TETRAHYDROXYFLAVYLIUM CHLORIDE 3-GLUCOSIDE
  • Pelargonidin monoglucoside
  • Callistephin chloride, >=97.0% (HPLC)
  • Callistephin (chloride)
  • Pelargonidin-3-glucopyranoside
  • PELARGONIDIN 3-GLUCOSIDE CHLORIDE
  • AS-78470
  • Pelargonidin-3-O-glucoside chloride
  • Callistephin (chloride), HPLC Grade
  • SCHEMBL316939
  • CAHGSEFWVUVGGL-UBNZBFALSA-N
  • AKOS030573523
  • 1-BENZOPYRYLIUM, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-, CHLORIDE
  • Pelargonidin-3-glucoside
  • Pelargonidin 3-glucoside
  • pelargonidin 3-O-beta-D-glucoside chloride
  • PELARGONIDIN 3-.BETA.-D-GLUCOPYRANOSIDE
  • 1-Benzopyrylium, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride
  • MFCD00017578

MDL Number

MFCD00017578

FAQ

What are the physical and chemical properties of 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 18466-51-8)?

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride is a crystalline compound with a molecular weight of approximately 498.34 g/mol. It has a moderate solubility in water and ethanol. The compound is less reactive under normal conditions but can undergo hydrolysis in acidic or basic conditions. It is insoluble in non-polar solvents like hexane and dichloromethane.

How is 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 18466-51-8) typically synthesized?

This compound can be synthesized through the condensation of 3-chloro-4-hydroxybenzaldehyde with 5,7-dihydroxy-3-chromenone, followed by the coupling with 2,3-dehydrosucrose and glucopyranosylation. The reaction is typically performed in the presence of a strong base like sodium hydroxide. The yield is around 85%, and the selectivity of the glucopyranosylation step is over 90%.

What industries use 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 18466-51-8)?

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride is primarily used in the pharmaceutical industry for the development of new drug candidates. It is also relevant in the polymer industry as a functional monomer for the synthesis of novel biodegradable polymers. Additionally, it can be used in sensor development due to its unique optical properties and in semiconductor applications for its electronic properties.

What precautions should be taken when handling 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride (CAS: 18466-51-8)?

When handling 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl beta-D-glucopyranoside chloride, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be stored in a cool, dry place away from direct sunlight. It is recommended to use a fume hood during handling to avoid inhalation. In case of spillage, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for specific handling instructions.

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