7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside

Basic Information

View in Editor

CAS Number

531-75-9

Molecular Formula

C15H16O9

Molecular Weight

340.28 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

Basic Physical Properties

Melting Point

203-205 ºC

Boiling Point

697.7℃ at 760 mmHg

Flash Point

15 °C

Solubility

methanol: 50 mg/mL hot, clear to very faintly turbid, yellow-green fluoresc.

Refractive Index

-79 ° (C=2.4, 50% Dioxane)

Specific Rotation

-88 º (c=2,dioxane/water1:1)

SMILES

View in Editor

OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1

InChIKey

XHCADAYNFIFUHF-TVKJYDDYSA-N

LogP

-1.3227000000000004

Topological Polar Surface Area

149.82 Å²

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

495

Safety Information

View Safety Information

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℃

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

Esculin
6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
6,7-Dihydroxycoumarin 6-glucoside
Esculin hydrate
2H-1-Benzopyran-2-one,6-(b-D-glucopyranosyloxy)-7-hydroxy-
Aesculin
Aesculin (Esculin)
Esculin Sesquihydrate
ESCULIN(ESCULETIN-6-GLUCOSIDE)(P) PrintBack
ESCULIN(ESCULETIN-6-GLUCOSIDE)(RG) PrintBack
7-Hydroxycoumarin-6-yl β-D-Glucopyranoside Sesquihydrate
BICOLOIN
Bicolorin
Crataegin
Escosyl
Polychrom
POLYDROM
vitaminc2
Enallachrome
Esculetin 6-O-glucoside
Esculetin-6-β-D-glucopyranoside
Esculoside
Polychrome
(-)-Esculin
6,7-Dihydroxycoumarin-6-O-glucoside
Aesculinum
Esculine
Esculetin 6-beta-D-glucoside
6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin
7-Hydroxy-6-cumarinyl-glucosid
1Y1L18LQAF

MDL Number

MFCD00006879

FAQ

What is 7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9)?

7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9) is a natural flavonoid glycoside derived from citrus fruits. Its chemical formula is C15H14O8, and it exhibits antioxidant properties. It is structurally characterized by a chromone ring linked to a glucose sugar, making it a key compound in plant-based bioactive research.

What are the main uses of 7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9)?

This compound is primarily used in pharmaceuticals as an antioxidant and anti-inflammatory agent. It also serves in food science as a natural preservative and in research for studying flavonoid metabolism. Additionally, it is utilized in the development of nutraceuticals and drug formulations due to its bioactive properties.

Is 7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9) safe?

7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9) is generally considered safe in normal use, with low toxicity. However, standard safety precautions apply, such as avoiding direct skin contact and using gloves. It meets GRAS standards for food applications and is non-carcinogenic, though handling should follow lab safety protocols to ensure optimal safety.

How should 7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9) be stored?

Store 7-Hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside (CAS: 531-75-9) in a sealed container at 2-8°C, away from light and moisture. Maintain low humidity conditions and avoid exposure to strong oxidizing agents. Proper storage ensures stability and prevents degradation of its bioactive properties.