(2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | CAS No. 5127-64-0

(2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Basic Information

CAS Number

5127-64-0

Molecular Formula

C22H18O11

Molecular Weight

458.38 g/mol

AD

Basic Physical Properties

Physical State

Powder

c1c(cc(c(c1O)O)O)[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

InChI

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1

InChIKey

WMBWREPUVVBILR-GHTZIAJQSA-N

LogP

2.2332000000000014

Topological Polar Surface Area

197.36999999999998 Ų

Hydrogen Bond Donor/Acceptor

8 / 11

Synonyms & References

English

  • (-)-GALLOCATECHIN-3-GALLATE
  • (-)-(2S,3R)-gallocatechin gallate
  • (-)-Gallocatechin gallate
  • (+)-Gallocatechin gallate
  • (+)-Gallocatechin-3-o-gallate
  • (+)-Gallocatechol gallate
  • (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3S)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester
  • CHEMBL126079
  • Gallocatechin 3-O-gallate
  • UNII-0C056
  • GCG

MDL Number

MFCD09752802

FAQ

What regulatory guidelines apply to (2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 5127-64-0)?

This compound falls under various regulatory guidelines such as GHS (Global Harmonized System of Classification and Labeling of Chemicals), REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) for its registration and handling, and FDA/EPA requirements for safety and environmental impact assessments. It is important to comply with local and national regulations regarding its manufacture, use, and disposal.

Are there alternatives to (2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 5127-64-0) in synthesis?

In synthesis, other similar compounds like 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate isomers or analogs can be used as alternatives. Common alternative reagents include 3,4,5-trihydroxybenzoic acid, which can be substituted in the synthesis process with minor modifications.

What is the market or research trend for (2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 5127-64-0)?

Research trends for this compound indicate growing interest in its use as an antioxidant and as a precursor in the synthesis of other bioactive compounds. Market trends show increasing demand in pharmaceutical and chemical industries. Studies are also exploring its potential in natural product chemistry and its role in drug discovery.

How should waste containing (2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 5127-64-0) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method of disposal, but it is recommended to follow local regulations. Environmental protection measures include proper labeling and handling to prevent contamination of soil and water sources.

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