6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside

Basic Information

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CAS Number

38840-23-2

Molecular Formula

C21H20O10

Molecular Weight

432.38 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

239-241 ºC

Solubility

Insuluble (5.2E-3 g/L) (25 ºC),

SMILES

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CC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)O

InChI

InChI=1S/C21H20O10/c1-7-2-9-15(18(27)14-10(16(9)25)4-8(23)5-11(14)24)12(3-7)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1

InChIKey

ZXXFEBMBNPRRSI-JNHRPPPUSA-N

LogP

-0.63968

Topological Polar Surface Area

173.98 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

700

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Emodin 1-Beta-D-Glucoside
UNII-513F53H6BU
Q27260855
Emodin-1-O-??-D-glucopyranoside
EMODIN-1-GLUCOSIDE
1-O-.BETA.-D-GLUCOPYRANOSYLEMODIN
9,10-ANTHRACENEDIONE, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-6,8-DIHYDROXY-3-METHYL-
38840-23-2
1,3-dihydroxy-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
AKOS030573570
EMODIN 1-.BETA.-D-GLUCOPYRANOSIDE
Emodin-1-Beta-D-Glucoside
MS-27708
HY-N2394
Emodin-1-O-
513F53H6BU
A-D-glucopyranoside
Emodin-1-O-b-D-glucopyranoside
9,10-Anthracenedione, 1-(beta-D-glucopyranosyloxy)-6,8-dihydroxy-3-methyl-
CHEMBL457945
EMODIN 1-O-.BETA.-D-GLUCOPYRANOSIDE
CS-0022596
DTXSID201020031
Emodin-1-O-beta-D-glucoside
F17665
EMODIN 1-O-.BETA.-D-GLUCOSIDE
AC-34144
EMODIN 1-GLUCOSIDE
EMODIN 1-.BETA.-GLUCOSIDE
Emodin-1-O-beta-D-glucopyranoside
Emodin 1-O-beta-D-glucoside

MDL Number

MFCD23379926

FAQ

What are the physical and chemical properties of 6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside (CAS: 38840-23-2)?

6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside is a crystalline compound with a molecular weight of approximately 476.37 g/mol. It has a low solubility in water but is moderately soluble in organic solvents such as methanol and ethanol. Chemically, it exhibits strong reactivity towards nucleophiles and electrophiles, making it suitable for various chemical transformations.

How is 6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside (CAS: 38840-23-2) typically synthesized?

6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside can be synthesized via a multi-step process involving the glucosylation of anthracene derivatives. Commonly, this involves protecting groups, followed by selective glycosylation reactions. The overall yield is moderate, with high selectivity towards the desired product.

What industries use 6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside (CAS: 38840-23-2)?

6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside is primarily used in pharmaceutical applications, particularly in the development of bioactive molecules and drug candidates. It is also applicable in the polymer industry for producing functionalized polymers. Its unique structure makes it useful in sensor technology and semiconductors for its optical and electronic properties.

What precautions should be taken when handling 6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside (CAS: 38840-23-2)?

When handling 6,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranoside, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Users should refer to the Safety Data Sheet (SDS) for detailed safety information.