1,3,4,6-Tetra-O-acetyl-2-deoxy-D-glucopyranose - ≥95% , CAS No.69515-91-9

CAS: 69515-91-9 Cat. No.: T1023993 Peso molecular: 332.3 PubChem CID: 10903691

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OCC1C(C(CC(O1)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3S,4R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
• InChIKey: KLEORKVJPIJWNG-VMXNZORSSA-N
• INCHI: 1S/C14H20O9/c1-7(15)19-6-12-14(22-10(4)18)11(20-8(2)16)5-13(23-12)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12-,13?,14+/m1/s1
• Isómeros SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H](CC(O1)OC(=O)C)OC(=O)C)OC(=O)C
• PubChem CID: 10903691
• Peso molecular: 332.3

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: Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Oxane - Monosaccharide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

• Peso molecular: 332.300 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 332.111 Da
• Monoisotopic Mass: 332.111 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 473.000
• 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