1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose - ≥96% , CAS No.13100-46-4

CAS: 13100-46-4 Cat. No.: T292038 Molecular Weight: 348.31 PubChem CID: 83136

GRADE & PURITY ≥96%

Synonyms

13100-46-4|1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose|beta-d-glucose-2,3,4,5-tetraacetate|beta-D-Glucopyranose, 1,2,3,4-tetraacetate|beta-D-Glucose 1,2,3,4-tetraacetate|EINECS 236-018-2|1,2,3,4-tetra-O-acetyl--d-glucopyranose|1,2,3,4-Tetra-O-acetylglucop

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

13100-46-4 | 1, 2, 3, 4-Tetra-O-acetyl-beta-D-glucopyranose | beta-d-glucose-2, 3, 4, 5-tetraacetate | beta-D-Glucopyranose, 1, 2, 3, 4-tetraacetate | beta-D-Glucose 1, 2, 3, 4-tetraacetate | EINECS 236-018-2 | 1, 2, 3, 4-tetra-O-acetyl--d-glucopyranose | 1, 2, 3, 4-Tetra-O-acetylglucop

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504755653
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755653
• Canonical Smiles: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)CO
• IUPAC Name: [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
• InChIKey: FEQXFAYSNRWXDW-RKQHYHRCSA-N
• INCHI: 1S/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
• Isomeric SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)CO
• PubChem CID: 83136
• Molecular Weight: 348.31

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: Hexoses Oxanes Carboxylic acid esters Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Hexose monosaccharide - Monosaccharide - Oxane - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic 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
• Melt Point(°C): 126-128° C (lit.)
• Molecular Weight: 348.300 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 348.106 Da
• Monoisotopic Mass: 348.106 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 502.000
• 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