2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-beta-D-glucopyranosylamine

Basic Information

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CAS Number

14152-97-7

Molecular Formula

C15H19NO9S

Molecular Weight

389.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

116°C

Boiling Point

116°C

Density

1.4000

Flash Point

237.8 °C

Refractive Index

1.556

SMILES

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CC(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H19NO9S/c1-7(17)21-5-11-12(22-8(2)18)13(23-9(3)19)14(24-10(4)20)15(25-11)16-6-26/h11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1

InChIKey

WOWNQYXIQWQJRJ-UXXRCYHCSA-N

LogP

0.17229999999999945

Topological Polar Surface Area

126.79000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 10

Complexity

616

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H334

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

sensitive to humidity, sensitive to light

Synonyms & References

English

2,3,4,6-tetra-o-acetyl--d-glucopyranosylisothiocyanate
2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL ISOTHIOCYANATE [FOR HPLC LABELING]
2,3,4,6-tetra-O-acetyl-beta-D- glucopyranosyl isothiocyanate
2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate
2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
MFCD00043085
NSC 224452
b-D-Glucopyranosyl isothiocyanate,2,3,4,6-tetraacetate
beta-D-Glucopyranosyl isothiocyanate, 2,3,4,6-tetraacetate
TAGIT
2,3,4,6-Tetra-O-acetyl-.beta.-D-glucopyranosyl isothiocyanate
[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate
T70264
2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, for chiral derivatization, >=98.0% (HPLC)
AKOS015898494
2,3,4,6-Tetra-O-acetyl- beta -D-glucopyranosyl isothiocyanate
14152-97-7
2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl isothiocyanate
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyltriacetate
2,3,4,6-Tetra-O-acetyl-?-D-glucopyranosyl isothiocyanate
DTXSID90931112
SCHEMBL1357029
GITC
W-200114
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl triacetate
WOWNQYXIQWQJRJ-UXXRCYHCSA-N
2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl Isothiocyanate [for HPLC Labeling]
2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate
Tricyclohexyl phosphine
2 3 4 6-TETRA-O-ACETYL-BETA-D-GLUCOPYRA&
2,3,4,6-Tetra-O-acetyl-a-D-glucopyranosyl

MDL Number

MFCD00043085

FAQ

What regulatory guidelines apply to 2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-beta-D-glucopyranosylamine (CAS: 14152-97-7)?

This compound falls under the GHS classification for specific hazards, subject to REACH regulations for registration, evaluation, authorization, and restriction in the EU, and may also be regulated by the FDA and EPA in the U.S. for use in pharmaceuticals and other applications.

Are there alternatives to 2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-beta-D-glucopyranosylamine in synthesis?

Alternative reagents such as acetyl-protected glucose derivatives or other modified sugars can be used as less complex alternatives in synthesis processes, depending on specific needs and application requirements.

What is the market or research trend for 2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-beta-D-glucopyranosylamine?

The market trend for this compound shows growing interest in its use as a reagent in pharmaceuticals and biochemistry research, with increasing research focused on its potential applications in drug synthesis and glycosylation studies.

How should waste containing 2,3,4,6-Tetra-O-acetyl-N-(thioxomethylene)-beta-D-glucopyranosylamine be handled?

Waste containing this compound should be collected in appropriate containers, labeled with the correct hazardous waste symbol, and disposed of through professional waste disposal services that adhere to local and national regulations. Environmental protection measures should be taken to prevent contamination of the environment.