(1S)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

Basic Information

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CAS Number

4773-96-0

Molecular Formula

C19H18O11

Molecular Weight

422.34 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

269-270°C

Boiling Point

842.7℃/760mmHg

Density

1.8430

Solubility

Methanol,Ethanol,Thermal dilute ethanol,DMSO

SMILES

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c1c2c(cc(c1O)O)oc3cc(c(c(c3c2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

InChI

InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1

InChIKey

AEDDIBAIWPIIBD-ZJKJAXBQSA-N

LogP

-0.7164999999999999

Topological Polar Surface Area

201.27999999999997 Å²

Hydrogen Bond Donor/Acceptor

8 / 11

Complexity

646

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Storage Conditions

2-8℃

Synonyms & References

English

mangiferin from mangifera indica leaves
2-beta-d-glucopyranosyl-1,3,6,7-tetrahydroxy-9h-xanthen-9-on
alpizarin
aphloiol
chinomin
chinonin
hedysarid
XANTHONE-C-GLUCOSIDE
MANGIFERN
9H-Xanthen-9-one, 2-b-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
Mangiferin
MANGIFERIN(AS)
MANGIFERIN(P)
MANGIFERIN(RG)
Alpizarine
ChinoMine
Hedysaride
1,3,6,7-Tetrahydroxyxanthone C2-β-D-glucoside
2-beta-D-Glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one
1,3,6,7-Tetrahydroxyxanthone C2-beta-D-glucoside
1,3,6,7-Tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
[ "" ]
1,3,6,7-Tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa
1M84LD0UMD
(1S)-1,5-anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol
1,3,6,7-Tetrahydroxyxanthone-C2-b-D-glucoside
Chinoinin
9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetrahydroxy-
C19H18O11
9H-Xanthen-9-one, 2-beta-D-gl
Alpizarin,Alpizarine,Aphloiol,Chinomin,Chinonin,Hedysarid,Shamimin,2-C-β-D-Glucopyranosyl-1,3,6,7-te...

MDL Number

MFCD28139337

FAQ

What is (1S)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol (CAS: 4773-96-0)?

This compound is a derivative of D-glucitol, featuring a xanthen-2-yl group with multiple hydroxyl and keto functionalities. Its chemical formula is C16H20O11, and it exhibits structural complexity typical of glycosidic compounds. It is a white crystalline solid with solubility in polar solvents and is often used in specialized chemical applications due to its functional groups and stereochemistry.

What are the main uses of (1S)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol (CAS: 4773-96-0)?

This compound is primarily utilized in pharmaceutical research as an intermediate for drug development, particularly in creating bioactive molecules. It also finds applications in chemical synthesis, specialty coatings, and as a component in certain therapeutic agents. Its unique structure makes it valuable in studies related to carbohydrate chemistry and functionalized organic compounds.

Is (1S)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol (CAS: 4773-96-0) safe?

Safety data for this compound is limited, but it is generally considered non-toxic under normal handling conditions. Precautions include avoiding prolonged skin contact and ensuring proper ventilation. As with any chemical, adherence to standard safety protocols and protective measures, such as gloves and safety goggles, is recommended to minimize risks during use or storage.

How should (1S)-1,5-Anhydro-1-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)-D-glucitol (CAS: 4773-96-0) be stored?

Store in a sealed, moisture-proof container at 2-8°C to maintain stability. Protect from light and humidity to prevent degradation. Ensure storage in a cool, dry place away from reactive substances. Proper storage conditions are critical to preserving its chemical integrity and extending shelf life.