1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose

Basic Information

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CAS Number

79886-50-3

Molecular Formula

C34H28O22

Molecular Weight

788.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Powder

Solubility

,Methanol, Acetontrile, DMSO

SMILES

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C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O

InChI

InChI=1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1

InChIKey

RATQVALKDAUZBW-XPMKZLBQSA-N

LogP

0.704600000000001

Topological Polar Surface Area

377.42 Å²

Hydrogen Bond Donor/Acceptor

13 / 22

Complexity

1340

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

1,2,3,6-TETRA-O-GALLOYL-.BETA.-D-GLUCOPYRANOSE
1,2,3,6-Tetra-O-galloyl-B-D-glucose
1,2,3,6-Tetragalloylglucose
AKOS040760170
.BETA.-D-GLUCOPYRANOSE, 1,2,3,6-TETRAKIS(3,4,5-TRIHYDROXYBENZOATE)
E87174
1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
1(beta),2,3,6-TETRA-O-GALLOYLGLUCOSE
Tetra-O-galloyl-?-D-glucose
ACon1_000379
beta-D-Glucopyranose, 1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate)
CHEMBL449947
SCHEMBL2370043
1,2,3,6-tetra-o-galloyl-beta-d-glucopyranose
84297-48-3
[(2R,3R,4S,5R,6S)-3-hydroxy-4,5,6-tris[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
C04516
NCGC00169133-01
Q27102438
4648S0G699
1,2,3,6-Tetragalloyl-beta-D-glucopyranose
MEGxp0_001175
1,2,3,6-TETRA-O-GALLOYL-.BETA.-D-GLUCOSE
NP-003686
BDBM50595060
NCGC00169133-02
NS00097500
UNII-4648S0G699
.BETA.-D-GLUCOPYRANOSE 1,2,3,6-TETRAGALLATE
1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose
DTXSID80904234

FAQ

What is 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose (CAS: 79886-50-3)?

1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose is a complex organic compound with a molecular structure featuring four 3,4,5-trihydroxybenzoyl groups attached to a glucose molecule. It is highly water-soluble and exhibits significant antioxidant properties.

What are the main uses of 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose (CAS: 79886-50-3)?

This compound is primarily used in pharmaceuticals for its antioxidant properties, in food additives as a preservative, and in cosmetics for its skin health benefits. It is also utilized in research for studying polyphenol interactions with carbohydrates.

Is 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose (CAS: 79886-50-3) safe?

1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose is considered safe for use in food, pharmaceuticals, and cosmetics when used according to guidelines. However, skin contact should be avoided, and it should be handled with appropriate personal protective equipment (PPE) to prevent inhalation or ingestion.

How should 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose (CAS: 79886-50-3) be stored?

Store 1,2,3,6-Tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose in a cool, dry place, away from direct sunlight and moisture. Keep the container tightly sealed to prevent degradation. It should be stored at a temperature below 25°C (77°F) to maintain its stability and effectiveness.