3,6-Anhydro-D-glucose - ≥95%(mixture of isomers) , CAS No.7625-23-2

CAS: 7625-23-2 Cat. No.: A971057 Molecular Weight: 162.14

GRADE & PURITY ≥95%(mixture of isomers)

Synonyms

(R)-2-((2S,3R,4R)-3,4-Dihydroxytetrahydrofuran-2-yl)-2-hydroxyacetaldehyde

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

3,6-Anhydro-D-glucose is a compound that is produced by the dehydration of D-glucose. It has been synthesized in an acidic hydrolysis reaction involving mercaptoacetic acid and sodium carbonate. The synthesis of 3,6-Anhydro-D-glucose involves the use of chloride as a reactive agent and metal ion catalysis. This compound can be used to create isomers with other sugars. It also has supramolecular chemistry properties due to its ability to form complexes with other molecules.

Specifications

Synonyms

(R)-2-((2S, 3R, 4R)-3, 4-Dihydroxytetrahydrofuran-2-yl)-2-hydroxyacetaldehyde

Specifications & Purity

≥95%(mixture of isomers)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%(mixture of isomers)

Names and Identifiers

• Canonical Smiles: C1C(C(C(O1)C(C=O)O)O)O
• IUPAC Name: (2R)-2-[(2S,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde
• InChIKey: WZYRMLAWNVOIEX-SLPGGIOYSA-N
• INCHI: 1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h1,3-6,8-10H,2H2/t3-,4+,5+,6+/m0/s1
• Isomeric SMILES: C1[C@H]([C@H]([C@H](O1)[C@H](C=O)O)O)O
• Alternate CAS: 7625-23-2
• MeSH Entry Terms: 3,6-anhydro-D-glucose;3,6-anhydroglucose
• Molecular Weight: 162.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Alpha-hydroxyaldehydes Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-hydroxyaldehyde - Tetrahydrofuran - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• External Descriptors: Aldoses

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

• Molecular Weight: 162.140 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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