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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,3,4,6-Tetra-O-benzoyl-β-D-glucopyranosyl Isothiocyanate [for HPLC Labeling] - ≥98%(HPLC) , CAS No.132413-50-4
Synonyms
2,3,4,6-Tetra-O-benzoyl-beta-D-glucopyranosyl isothiocyanate, 99% | T70210 | (2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-isothiocyanatotetrahydro-2H-pyran-3,4,5-triyl tribenzoate | AS-70124 | BGIT | 2,3,4,6-Tetra-O-benzoyl-?-D-glucopyranosyl isothiocyanate
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Why this grade ≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2, 3, 4, 6-Tetra-O-benzoyl-beta-D-glucopyranosyl isothiocyanate, 99% | T70210 | (2R, 3R, 4S, 5R, 6R)-2-((Benzoyloxy)methyl)-6-isothiocyanatotetrahydro-2H-pyran-3, 4, 5-triyl tribenzoate | AS-70124 | BGIT | 2, 3, 4, 6-Tetra-O-benzoyl-?-D-glucopyranosyl isothiocyanate
Specifications & Purity
≥98%(HPLC)
Names and Identifiers Canonical Smiles C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N=C=S)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 IUPAC Name [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl]methyl benzoate InChIKey RITGYQZMPNVVEG-PXPWAULYSA-N INCHI 1S/C35H27NO9S/c37-32(23-13-5-1-6-14-23)41-21-27-28(43-33(38)24-15-7-2-8-16-24)29(44-34(39)25-17-9-3-10-18-25)30(31(42-27)36-22-46)45-35(40)26-19-11-4-12-20-26/h1-20,27-31H,21H2/t27-,28-,29+,30-,31-/m1/s1 Isomeric SMILES C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)N=C=S)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 PubChem CID 11966661 Molecular Weight 637.66 Reaxy-Rn 6692862
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Tetracarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Tetracarboxylic acids and derivatives Alternative Parents Glycosylamines Benzoic acid esters Benzoyl derivatives Oxanes Monosaccharides Isothiocyanates Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Tetracarboxylic acid or derivatives - Glycosyl compound - N-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Carboxylic acid ester - Isothiocyanate - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture Sensitive Molecular Weight 637.700 g/mol XLogP3 7.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 14 Exact Mass 637.141 Da Monoisotopic Mass 637.141 Da Topological Polar Surface Area 159.000 Ų Heavy Atom Count 46 Formal Charge 0 Complexity 1090.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 5 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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