(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol

Basic Information

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CAS Number

4261-42-1

Molecular Formula

C21H20O11

Molecular Weight

448.38 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

245-246°C

Boiling Point

856.7°Cat760mmHg

Density

1.7590

Flash Point

303.2°C

Solubility

methanol: soluble5mg/mL, clear, colorless to yellow

Refractive Index

1.767

SMILES

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C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1

InChIKey

ODBRNZZJSYPIDI-VJXVFPJBSA-N

LogP

-0.20269999999999994

Topological Polar Surface Area

201.27999999999997 Å²

Hydrogen Bond Donor/Acceptor

8 / 11

Complexity

729

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

BDBM50487756
CHEBI:17965
Homoori-entin
2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
(1S)-1,5-anhydro-1-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl)-D-glucitol
Homoorientin; Isoorientin
Isoorientin
CCG-208392
CS-7515
4261-42-1
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-
MLS002473101
Luteolin-6-C-beta-D-glucoside
Isoorientin, >=98% (HPLC)
Isoorientin, analytical standard
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-.beta.-D-glucopyranosyl-5,7-dihydroxy-
HY-N0767
SCHEMBL23761
Isoorientin, >=98.0% (HPLC)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
6C-hexosyl luteolin
AC-34983
A37342TIX1
LUTONARETIN
Luteolin-6-C-glucoside
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
Q-100474
AS-56302
DTXSID50962609
s9248
HMS2225D20

MDL Number

MFCD00017433

FAQ

What is (1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol (CAS: 4261-42-1)?

This compound is a complex sugar derivative featuring a glucitol backbone with multiple hydroxyl groups and a chromen-6-yl ring substituted with phenolic and carbonyl functional groups. It is a white crystalline solid with high molecular polarity, commonly used in pharmaceutical and research applications. Its structure suggests potential antioxidant and anti-inflammatory properties, though specific data requires further study.

What are the main uses of (1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol (CAS: 4261-42-1)?

This compound is primarily utilized in pharmaceutical research for its potential biological activities, including antioxidant and anti-inflammatory effects. It may also find applications in the development of dietary supplements, specialty chemicals, and as a precursor in organic synthesis. Its unique structure makes it valuable for studying flavonoid-related interactions in medicinal and industrial contexts.

Is (1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol (CAS: 4261-42-1) safe?

Safety data for this compound is limited, but as a chemical, it should be handled with standard laboratory precautions. Avoid direct skin contact and inhalation of vapors. It is not classified as highly toxic under current regulations, but proper protective measures, such as gloves and ventilation, are recommended. Always consult safety data sheets for specific handling guidelines.

How should (1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol (CAS: 4261-42-1) be stored?

Store in a cool, dry place (ideally 2-8°C) away from light to maintain stability. Use airtight, moisture-proof containers to prevent degradation. Avoid exposure to humidity and heat, as these may affect its molecular integrity. Keep out of reach of children and ensure proper labeling for safe handling.