2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

Basic Information

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CAS Number

7085-55-4

Molecular Formula

C33H42O19

Molecular Weight

742.68 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

Melting Point

186°C

Boiling Point

1058.4°C at 760 mmHg

Density

1.6500

Flash Point

332.0±27.8 °C

Solubility

1.93e+004 mg/L @ 25 °C (est)

Vapor Pressure

0.0±0.3 mmHg at 25°C

SMILES

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C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)OCCO)OCCO)OCCO)O)O)O)O)O)O)O

InChI

InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1

InChIKey

IYVFNTXFRYQLRP-VVSTWUKXSA-N

LogP

-2.690599999999997

Topological Polar Surface Area

297.12 Å²

Hydrogen Bond Donor/Acceptor

10 / 19

Complexity

1170

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

trihydroxyethylrutin
Troxerutin
Trihydroxylrutin
3',4',7-Tris[O-(2-hydroxyethyl)]rutin
3',4',7-TRIS-O-(2-HYDROXYETHYL)RUTIN
TROXERUTIN(P)
7,3',4'-trihydroxyethyl rutin
Factor-P-zyma
POSORUTIN
Rufen P-4
RUVEN
Troxerutine
VASTRIBIL
Venoruton
Venoruton P-4
Z-6000
Vitamin P4
Trioxyethylrutin
Factor P-zyma
Tris(hydroxyethyl)rutin
Tris(hydroxyethyl)rutoside
3',4',7-Tris(hydroxyethyl)rutin
Troxerutin (INN)
Pherarutin
Venoruton P4
Rufen-P4
Troksevazin
Troxarutin
Veinamitol
Venaroid
Veniten

MDL Number

MFCD00893813

Customs Code

2932999099

FAQ

What is 2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 7085-55-4)?

2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 7085-55-4) is a complex glycoside compound containing a chromene ring functionalized with hydroxyethoxy groups and a beta-D-glucopyranoside moiety linked via a mannopyranosyl bridge. It exhibits hydrophilic properties due to multiple hydroxyl groups and is typically used in specialized chemical applications.

What are the main uses of 2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 7085-55-4)?

This compound is primarily used in pharmaceutical research as a potential precursor for drug molecules, particularly in the development of antiviral or anti-inflammatory agents. It also finds applications in industrial chemistry for specialized formulations and in food science as a natural component of certain plant-derived compounds. Further studies are required to confirm its full utility.

Is 2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 7085-55-4) safe?

Safety data for this compound is limited, but as a glycoside, it is generally considered low in acute toxicity when handled properly. Precautions include wearing protective gloves, goggles, and lab coats, and avoiding inhalation or skin contact. Always follow standard chemical safety protocols and consult safety data sheets (SDS) for specific guidelines.

How should 2-[3,4-Bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside (CAS: 7085-55-4) be stored?

Store this compound in a cool, dry place (ideally 2-8°C), away from light and moisture. Use airtight, sealed containers made of glass or high-density polyethylene to maintain stability. Keep it in a well-ventilated area and avoid exposure to humidity or direct sunlight to prevent degradation.