1,2,3-tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate

Basic Information

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CAS Number

62499-28-9

Molecular Formula

C45H56O25

Molecular Weight

996.92 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

Density

1.586

Solubility

Methanol; Ethanol; Water; DMSO

SMILES

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O=C(OCc2ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cc2)CC(O)(C(=O)OCc4ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)cc4)CC(=O)OCc6ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc6

InChI

InChI=1S/C45H56O25/c46-15-27-32(51)35(54)38(57)41(68-27)65-24-7-1-21(2-8-24)18-62-30(49)13-45(61,44(60)64-20-23-5-11-26(12-6-23)67-43-40(59)37(56)34(53)29(17-48)70-43)14-31(50)63-19-22-3-9-25(10-4-22)66-42-39(58)36(55)33(52)28(16-47)69-42/h1-12,27-29,32-43,46-48,51-59,61H,13-20H2/t27-,28-,29-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-/m1/s1

InChIKey

WYKQPGOKTKQHQG-SHGJSZTHSA-N

LogP

-4.73599999999998

Topological Polar Surface Area

397.2700000000001 Å²

Hydrogen Bond Donor/Acceptor

13 / 25

Complexity

1540

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Parishin
Parishin A
PCB138 in Octane
[3-[[[4-(beta-D-Glucopyranosyloxy)phenyl]methoxy]carbonyl]-3-hydroxy-1,5-dioxo-1,5-pentanediyl]bis(oxymethylene-4,1-phenylene) bis-beta-D-glucopyranoside
Citricacidtris(p-beta-D-glucopyranosyloxybenzyl)ester
tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate
Tris[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricar
MEGxp0_001261
HMS3886L14
s9049
tris[4-(beta-d-glucopyranosyloxy)benzyl] citrate
Citric acid tris(p-beta-D-glucopyranosyloxybenzyl) ester

MDL Number

MFCD22125006

FAQ

What is 1,2,3-tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate (CAS: 62499-28-9)?

1,2,3-Tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate is a complex organic compound with a unique structure. It is a tricarboxylate ester with multiple hydroxyl and hydroxymethyl functionalities. This compound has applications in pharmaceuticals and research due to its specific functional groups.

What are the main uses of 1,2,3-tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate (CAS: 62499-28-9)?

This compound is primarily used in the pharmaceutical industry for the synthesis of medicaments and in research applications for studying specific molecular interactions. Its unique structure makes it valuable for developing targeted therapies and drug delivery systems.

Is 1,2,3-tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate (CAS: 62499-28-9) safe?

The safety of this compound depends on the specific application and handling procedures. It is generally considered safe when handled with appropriate protective measures, such as gloves and goggles. However, it should be stored away from sources of ignition and kept in a cool, dry place to minimize any potential risks.

How should 1,2,3-tris[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate (CAS: 62499-28-9) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light from affecting its stability. For safety, it should be stored in a secure place, out of reach of children and unauthorized individuals.