3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside

Basic Information

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CAS Number

60-81-1

Molecular Formula

C21H24O10

Molecular Weight

436.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Melting Point

134-151°C

Boiling Point

770°C at 760 mmHg

Density

1.3178 (rough estimate)

Solubility

Methanol; DMSO

Refractive Index

-54 ° (C=3.2, 95% EtOH)

SMILES

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c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

InChI

InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1

InChIKey

IOUVKUPGCMBWBT-QNDFHXLGSA-N

LogP

-0.20239999999999997

Topological Polar Surface Area

177.14 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

581

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

Phlorizin
1-[2-(BETA-D-GLUCOPYRANOSYLOXY)-4,6-DIHYDROXYPHENYL]-3-(4-HYDROXYPHENYL)-1-PROPANONE
2'-O-GLUCOSYL-4',6',4-TRIHYDROXYDIHYDROCHALCONE
2'-O-GLUCOSYL-4',6',4-TRIHYDROXYDIHYDROCHALCONE DIHYDRATE
4',6'-DIHYDROXY-2'-(BETA-D-GLUCOSIDO)-3-(4-HYDROXYPHENYL) PROPIOPHENONE
PHLORETIN-2'-BETA-D-GLUCOPYRANOSIDE DIHYDRATE
PHLORETIN-2'-BETA-D-GLUCOSIDE
PHLORETIN 2'-BETA-D-GLUCOSIDE DIHYDRATE
PHLORETIN-2'-O-GLUCOSIDE DIHYDRATE
PHLORIDZIN
PHLORIDZIN DIHYDRATE
PHLORIZIN DIHYDRATE
PHLORIZIN HYDRATE
TIMTEC-BB SBB005924
1-propanone,1-(2-(beta-d-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyp
phlorhizin
phloridzine
phlorizine
phlorizoside
phlorrhizin
Phloridzin n-Hydrate, from Apple
PHLORIDZIN(P)
PHLORIDZIN(RG)
Floridzin
NSC 2833
phloretin 2'-O-glucoside
phloridzosid
Phlorrhizen
1-(2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-propan-1-on
[ "Phlorhizin", " Phloridzin" ]
Phloretin 2'-glucoside

MDL Number

MFCD00006591

Customs Code

29389090

FAQ

What is 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside (CAS: 60-81-1)?

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside (CAS: 60-81-1) is a glycoside compound containing a beta-D-glucopyranoside moiety linked to a phenyl ring substituted with hydroxy and propanoyl groups. It is known for its structural complexity and potential biological activity, often found in natural sources and used in various scientific applications.

What are the main uses of 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside (CAS: 60-81-1)?

This compound is primarily used in pharmaceutical research for its potential as an anti-inflammatory agent. It also finds applications in biochemical studies due to its structural features, and may be relevant in the development of drug molecules and natural product derivatives.

Is 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside (CAS: 60-81-1) safe?

3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside (CAS: 60-81-1) is generally considered safe when handled properly in laboratory settings. However, standard safety precautions should be taken, including the use of protective gloves and goggles. Its safety profile is still under investigation for broader applications.

How should 3,5-Dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside (CAS: 60-81-1) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a tightly sealed container at a temperature below 25°C to maintain stability and prevent degradation. Avoid exposure to air and potential contaminants.