3,4,6-Tri-O-benzyl-2-deoxy-D-galactopyranose - ≥98% , CAS No.94189-64-7

CAS: 94189-64-7 Cat. No.: T162626 Molecular Weight: 434.53

GRADE & PURITY ≥98%

Synonyms

2-Deoxy-D-galactopyranose 3,4,6-Tribenzyl Ether

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Deoxy-D-galactopyranose 3, 4, 6-Tribenzyl Ether

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: C1C(C(C(OC1O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• IUPAC Name: (4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• InChIKey: PDGHLARNGSMEJE-MTZHAQACSA-N
• INCHI: 1S/C27H30O5/c28-26-16-24(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-26)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25-,26?,27-/m1/s1
• Isomeric SMILES: C1[C@H]([C@H]([C@H](OC1O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• Molecular Weight: 434.53
• Reaxy-Rn: 7083408

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Benzylethers Oxanes Hemiacetals Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Benzylether - Benzenoid - Oxane - Monocyclic benzene moiety - Hemiacetal - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• 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: Slightly soluble in Dioxane
• Sensitivity: Heat Sensitive；Moisture sensitive
• Melt Point(°C): 82.0 to 86.0 °C
• Molecular Weight: 434.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 434.209 Da
• Monoisotopic Mass: 434.209 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 496.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1