5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid

Basic Information

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CAS Number

27740-01-8

Molecular Formula

C21H18O12

Molecular Weight

462.36 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

Yellow powder

Melting Point

210-215°C

Boiling Point

891.6℃ at 760 mmHg

Density

1.8100

Flash Point

314.9 °C

Solubility

Methanol,DMSO

Specific Rotation

-134.2°(c=0.5 pyridine)

SMILES

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C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

DJSISFGPUUYILV-ZFORQUDYSA-N

LogP

-0.1521999999999999

Topological Polar Surface Area

207.34999999999997 Å²

Hydrogen Bond Donor/Acceptor

7 / 12

Complexity

777

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

(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Scutellarein 7-glucuronide
7-(beta-d-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one
BCP11536
FLAVONE, 4',5,6,7-TETRAHYDROXY-, 7-.BETA.-D-GLUCOPYRANURONOSIDE
Q410712
Scutellarein-7-O-beta-D-glucuronide
MEGxp0_000554
CCG-269364
5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
CCG-269365
SCUTELLAREIN 7-O-GLUCURONIDE
A819175
DTXSID101336184
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-
27740-01-8
(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
s3810
Breviscapin;Scutellarein-7-glucuronide;Scutellarin B
GLUCOPYRANOSIDURONIC ACID, 5,6-DIHYDROXY-2-(P-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-7-YL, .BETA.-D-
Scutellarin B
SCUTELLAREIN GLUCURONIDE [MI]
SCHEMBL4211849
(2S,3S,4S,5R,6S)-6-[5,6-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-CHROMEN-7-YL]OXY-3,4,5-TRIHYDROXY-OXANE-2-CARBOXYLIC ACID
Glucopyranosiduronic acid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, beta-D-
116122-36-2
Scutellarein-7beta-D-glucuronide
NCGC00480778-01
UNII-16IGP0ML9A
new-breviscapine

MDL Number

MFCD01861503

FAQ

What is 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (CAS: 27740-01-8)?

5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (CAS: 27740-01-8) is a complex organic compound with a chromane ring structure and a glucuronic acid side chain. It is known for its potential biological activity and is often studied in the context of natural products and pharmaceutical research. The compound exhibits specific solubility and stability characteristics, making it relevant in various scientific applications.

What are the main uses of 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (CAS: 27740-01-8)?

This compound is primarily used in pharmaceutical research for its potential therapeutic properties. It may also find applications in the development of natural antioxidants and anti-inflammatory agents. Additionally, it is used in biochemical studies and as a component in specialized industrial formulations, particularly in the context of drug synthesis and bioactive compound analysis.

Is 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (CAS: 27740-01-8) safe?

5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (CAS: 27740-01-8) is generally considered safe when handled properly. However, as with many chemical compounds, it is important to follow standard safety protocols, including wearing protective gloves and eyewear. Safety data sheets should be consulted for detailed handling and exposure information.

How should 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid (CAS: 27740-01-8) 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 sealed container at a temperature below 25°C. Proper storage ensures its stability and prevents degradation, which is crucial for maintaining its chemical integrity and effectiveness in research or industrial applications.