(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol

Basic Information

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CAS Number

104669-02-5

Molecular Formula

C19H20O10

Molecular Weight

408.36 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

Solid

Boiling Point

669.9±55.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Flash Point

239.9±25.0 °C

Vapor Pressure

0.0±2.2 mmHg at 25°C

SMILES

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C1=CC(=CC=C1C(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O

InChI

InChI=1S/C19H20O10/c20-6-11-15(25)17(27)18(28)19(29-11)13-10(23)5-9(22)12(16(13)26)14(24)7-1-3-8(21)4-2-7/h1-5,11,15,17-23,25-28H,6H2/t11-,15-,17+,18-,19+/m1/s1

InChIKey

BZYKNVLTMWYEFA-ZJKJAXBQSA-N

LogP

-0.7450999999999997

Topological Polar Surface Area

188.14 Å²

Hydrogen Bond Donor/Acceptor

8 / 10

Complexity

565

Synonyms & References

English

NS00097606
ACon1_001328
MEGxp0_001276
BRD-K02278754-001-01-1
CS-0024421
MS-27007
Iriflophenone 3-C-beta-D-glucoside
MFCD20260926
Iriflophenone 3-C--D-glucopyranoside
Iriflophenone 3-C-beta-D-glucopyranoside
Iriflophenone 3-C-b-D-glucopyranoside
Iriflophenone-3-C-beta-flucoside
Iriflophenone 3-C-beta-D-glucopyranoside, analytical standard
NCGC00180623-01
Iriflophenone 3-C-b-D-glucopyranosideIriflophenone 3-C-b-D-glucopyranoside
(1s)-1,5-anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-d-glucitol
104669-02-5
CHEMBL3358632
HY-N4008
(4-hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
DTXSID00904231
AKOS040733463
Iriflophenone 3-C-glucoside
Methanone, (3-b-D-glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)-
IRIFLOPHENONE 3-CGLUCOSIDE
Iriflophenone 3-C-β-D-glucopyranoside
(3-β-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)methanone
Iriflophenone 3-C-β-D-glucoside
3-Glucosyliriflophenone
[ "3-Glucosyliriflophenone" ]
Iriophenone 3-C-glucoside

MDL Number

MFCD20260926

FAQ

What is (1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol (CAS: 104669-02-5)?

(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol is a glycoside derivative with a complex structure. It is characterized by its unique composition, including multiple hydroxyl and benzoyl groups. This compound is often used in pharmaceuticals and research due to its specific functional groups and structural properties.

What are the main uses of (1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol (CAS: 104669-02-5)?

(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol is predominantly used in pharmaceuticals for its potential anti-inflammatory and analgesic properties. It is also utilized in research for studying glycoside derivatives and their interactions with biological systems.

Is (1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol (CAS: 104669-02-5) safe?

(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol is generally considered safe for use in pharmaceuticals, but proper handling and storage are necessary to avoid any potential risks. Users should follow safety guidelines, including appropriate personal protective equipment (PPE) and avoid contact with eyes and skin. Storage in a cool, dry place away from direct sunlight is recommended.

How should (1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol (CAS: 104669-02-5) be stored?

(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol should be stored in a cool, dry environment, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions include a temperature range of 15-25°C and relative humidity below 60%. It is crucial to avoid exposure to moisture and light to maintain the compound's stability and effectiveness.