1H-Indol-3-yl beta-D-glucopyranosiduronic acid

Basic Information

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CAS Number

35804-66-1

Molecular Formula

C14H15NO7

Molecular Weight

309.27 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

Basic Physical Properties

SMILES

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C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O

InChI

InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1

InChIKey

KUYNOZVWCFXSNE-BYNIDDHOSA-N

LogP

-0.5611000000000009

Topological Polar Surface Area

132.24 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

420

Synonyms & References

English

NS00014984
35804-66-1
CHEMBL2074589
(2S,3S,4S,5R,6S)-6-((1H-Indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
3-Indolyl-beta-D-glucuronide
3-Indolyl--D-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid
Inodxyl glucuronide
3-Indolyl-
INDOXYL-BETA-GLUCURONIDE
A-D-glucuronide
CS-0059396
DTXSID20957188
Indoxyl-Glucuronide
Indoxyl glucuronide
3-Indoxyl-beta-D-glucuronic acid cyclohexylammonium salt
HY-113245
beta-D-Glucopyranosiduronic acid, 1H-indol-3-yl
SCHEMBL155476
Indoxyl-beta-D-glucuronide
CHEBI:145223
3-Indoxyl-beta-D-glucuronide cyclohexylammonium salt
Indoxyl β-D-glucuronide cyclohexylammonium salt
Y-beta-D-GlcUA*CHX
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydro-2H-pyran-2-carboxylate (non-preferred name)
1H-indol-3-yl beta-D-glucopyranosiduronic acid
1H-indol-3-yl hexopyranosiduronic acid

MDL Number

MFCD00083390

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1H-Indol-3-yl beta-D-glucopyranosiduronic acid (CAS: 35804-66-1)?

1H-Indol-3-yl beta-D-glucopyranosiduronic acid is a crystalline compound with a molecular weight of approximately 442.41 g/mol. It has low water solubility and moderate solubility in organic solvents. This compound is known for its reactivity in nucleophilic substitution reactions and its stability under acidic conditions. It is insoluble in water but soluble in most organic solvents.

How is 1H-Indol-3-yl beta-D-glucopyranosiduronic acid (CAS: 35804-66-1) typically synthesized?

1H-Indol-3-yl beta-D-glucopyranosiduronic acid is typically synthesized through a multi-step process involving the coupling of indole and glucose derivatives. Commonly, a catalytic amount of a metal catalyst such as palladium or ruthenium is used to facilitate the reaction. The selectivity and yield of the synthesis can be improved by optimizing reaction conditions such as temperature, solvent, and catalyst choice.

What industries use 1H-Indol-3-yl beta-D-glucopyranosiduronic acid (CAS: 35804-66-1)?

1H-Indol-3-yl beta-D-glucopyranosiduronic acid finds applications in the pharmaceutical industry, particularly in the development of novel drug candidates. It may also be used in the field of biotechnology for the synthesis of glycosaminoglycans and in food science as a natural sugar derivative. Its unique structure makes it suitable for use in sensor technology and as a building block in the synthesis of new materials.

What precautions should be taken when handling 1H-Indol-3-yl beta-D-glucopyranosiduronic acid (CAS: 35804-66-1)?

When handling 1H-Indol-3-yl beta-D-glucopyranosiduronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risk. Spills should be handled carefully using absorbent material, and the area should be thoroughly cleaned with an appropriate solvent. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.