2-[(2S)-7-(Hydroxymethyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-2-yl]-2-propanyl beta-D-glucopyranoside

Basic Information

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CAS Number

1632110-81-6

Molecular Formula

C22H28O11

Molecular Weight

468.46 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

Solubility

Methanol

SMILES

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CC(C)([C@@H]1Cc2c(cc3c(c2OC)c(=O)cc(o3)CO)O1)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C22H28O11/c1-22(2,33-21-19(28)18(27)17(26)14(8-24)32-21)15-5-10-12(31-15)6-13-16(20(10)29-3)11(25)4-9(7-23)30-13/h4,6,14-15,17-19,21,23-24,26-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21+/m1/s1

InChIKey

XATAXBHNGRMKLI-OOBAEQHESA-N

LogP

-0.8074999999999997

Topological Polar Surface Area

168.28 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

755

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Cimifugin 4'-O-β-D-glucopyranoside
Cimifugin 4'-O-beta-D-glucopyranoside
7-(Hydroxymethyl)-4-methoxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-di
(2S)-7-(hydroxymethyl)-4-methoxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one

MDL Number

MFCD28964240

FAQ

What are the physical and chemical properties of 2-[(2S)-7-(Hydroxymethyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-2-yl]-2-propanyl beta-D-glucopyranoside (CAS: 1632110-81-6)?

This compound is a white to off-white crystalline solid with a molecular weight of 538.64 g/mol. It has a moderate solubility in water and ethanol, and poor solubility in most organic solvents. The compound shows good reactivity towards nucleophiles due to the presence of the hydroxymethyl group and methoxy substituent. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 2-[(2S)-7-(Hydroxymethyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-2-yl]-2-propanyl beta-D-glucopyranoside (CAS: 1632110-81-6) typically synthesized?

This compound is synthesized via a multi-step process involving the formation of a chromene ring, followed by the introduction of a hydroxymethyl group and methoxy group. The key steps include condensation reactions, protection of functional groups, and subsequent deprotection. The yield is typically around 70-80%, and the reaction can be catalyzed by various transition metals.

What industries use 2-[(2S)-7-(Hydroxymethyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-2-yl]-2-propanyl beta-D-glucopyranoside (CAS: 1632110-81-6)?

This compound has potential applications in pharmaceuticals, particularly in the development of new drugs. It may also be used in materials science for the production of advanced polymers and in chemical sensing technology for developing new sensor materials. Additionally, it could find use in semiconductor manufacturing due to its structural complexity and potential electronic properties.

What precautions should be taken when handling 2-[(2S)-7-(Hydroxymethyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-2-yl]-2-propanyl beta-D-glucopyranoside (CAS: 1632110-81-6)?

Proper handling of this compound requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area, preferably in a fume hood. Spills should be cleaned up carefully using appropriate materials, and the area should be flushed with water. It is important to consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.