Benzyl 2,3,4,6-Tetra-O-acetyl-β-D-Glucopyranoside - ≥98% , CAS No.10343-13-2

CAS: 10343-13-2 Cat. No.: B349095 Molecular Weight: 438.43

GRADE & PURITY ≥98%

Synonyms

Benzyl 2,3,4,6-Tetra-O-acetyl- beta -D-Glucopyranoside | AS-68140 | XDMACMMTPGFUCZ-YMQHIKHWSA-N | Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside | AKOS004903160 | [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate | W-20069

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Benzyl 2, 3, 4, 6-Tetra-O-acetyl- beta -D-Glucopyranoside | AS-68140 | XDMACMMTPGFUCZ-YMQHIKHWSA-N | Benzyl 2, 3, 4, 6-Tetra-O-acetyl-beta-D-Glucopyranoside | AKOS004903160 | [(2R, 3R, 4S, 5R, 6R)-3, 4, 5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate | W-20069

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methyl acetate
• InChIKey: XDMACMMTPGFUCZ-YMQHIKHWSA-N
• INCHI: 1S/C21H26O10/c1-12(22)26-11-17-18(28-13(2)23)19(29-14(3)24)20(30-15(4)25)21(31-17)27-10-16-8-6-5-7-9-16/h5-9,17-21H,10-11H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
• Molecular Weight: 438.43
• Reaxy-Rn: 9297303
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9297303&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• 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: O-glycosyl compounds Oxanes Monosaccharides Benzene and substituted derivatives Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Chloroform, Dichloromethane and Ethyl Acetate
• Sensitivity: Moisture sensitive
• Melt Point(°C): 92-94°C (lit.)
• Molecular Weight: 438.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 438.153 Da
• Monoisotopic Mass: 438.153 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 642.000
• 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