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

CAS: 13100-46-4 Cat. No.: T292038 Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504755653
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755653
• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 348.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform
• Punto de fusión (°C): 126-128° C (lit.)
• Peso molecular: 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