[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Basic Information

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CAS Number

94079-81-9

Molecular Formula

C35H46O19

Molecular Weight

770.73 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

1.62

Solubility

Methanol,Water,DMSO

SMILES

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CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O

InChI

InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1

InChIKey

YMWRMAOPKNYHMZ-LLVTZOIGSA-N

LogP

-2.164099999999991

Topological Polar Surface Area

304.21 Å²

Hydrogen Bond Donor/Acceptor

11 / 19

Complexity

1210

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Poliumoside
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(1H-TETRAZOL-1-YL)ISONICOTINIC ACID
Y0162
O-6-Deoxy-alpha-L-mannopyranosyl-(1-3)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-6)]-beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)ethyl 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]
N2499
[(2R,3R,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6
CHEBI:183949
HY-N0033
AKOS037647890
6-[2-(3,4-DIHYDROXYPHENYL)ETHOXY]-5-HYDROXY-4-[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]-2-{[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]METHYL}OXAN-3-YL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE
94079-81-9
POLIUMOSIDE
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SCHEMBL14917092
2-(3,4-DIHYDROXYPHENYL)ETHYL 3-O,6-O-BIS(ALPHA-L-RHAMNOPYRANOSYL)-4-O-[(E)-3-(3,4-DIHYDROXYPHENYL)PROPENOYL]-BETA-D-GLUCOPYRANOSIDE
AS-75175
AC-34320
CID 6442411

MDL Number

MFCD23160017

FAQ

What are the physical and chemical properties of [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS: 94079-81-9)?

The compound has a crystalline form with a high molecular weight due to its complex structure. It exhibits low solubility in water but is more soluble in organic solvents. Chemically, it is reactive and can undergo various transformations, such as hydrolysis and oxidation. It is sensitive to acidic and basic conditions.

How is [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS: 94079-81-9) typically synthesized?

The compound is typically synthesized using a multi-step process involving the condensation of appropriate precursors. Common methods include the use of protecting groups and Lewis acids as catalysts. The synthesis yields a high-level product with good selectivity and yield.

What industries use [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS: 94079-81-9)?

This compound finds applications in the pharmaceutical industry for its potential as a drug candidate due to its unique chemical structure. It is also used in the polymer industry for its reactive properties and in the development of sensors and semiconductors for its functional groups.

What precautions should be taken when handling [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS: 94079-81-9)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling the compound. It should be stored in a fume hood to minimize exposure. In case of a spill, it should be handled carefully with appropriate spill clean-up procedures, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed handling and storage information.