Benzyl 2,3,4-Tri-O-benzyl-α-D-glucopyranoside - ≥98% , CAS No.59935-49-8

CAS: 59935-49-8 Cat. No.: B292046 Molecular Weight: 540.646

GRADE & PURITY ≥98%

Synonyms

benzyl 2,3,4-tri-O-benzyl-α-D-arabino-hexopyranoside;(3,4,5,6-tetrakis-benzyloxy-tetrahydro-pyran-2-yl)methanol;Phenylmethyl 2,3,4-Tris-O-(phenylmethyl)-α-D-glucopyranoside

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Benzyl 2,3,4-Tri-O-benzyl-α-D-glucopyranoside is a side product in the synthesis of Isomaltose-13C , which is labelled Isomaltose. One of the main product of transformation of maltose into prebiotic isomaltooligosaccharides by novel α-glucosidase from Xantophyllomyces dendrorhous

Specifications

Synonyms

benzyl 2, 3, 4-tri-O-benzyl-α-D-arabino-hexopyranoside;(3, 4, 5, 6-tetrakis-benzyloxy-tetrahydro-pyran-2-yl)methanol;Phenylmethyl 2, 3, 4-Tris-O-(phenylmethyl)-α-D-glucopyranoside

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197072
• Canonical Smiles: C1=CC=C(C=C1)COC2C(OC(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO
• IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methanol
• InChIKey: HYWPIYGUZWWMDH-RUOAZZEASA-N
• INCHI: 1S/C34H36O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34+/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)CO
• Molecular Weight: 540.646
• Reaxy-Rn: 45830085
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45830085&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Benzylethers Oxanes Monosaccharides Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Benzylether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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
• Molecular Weight: 540.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 540.251 Da
• Monoisotopic Mass: 540.251 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 665.000
• 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