2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl chloride - ≥97% , CAS No.66966-08-3

CAS: 66966-08-3 Cat. No.: T292050 Peso molecular: 366.748

GRADE & PURITY ≥97%

Synonyms

2,3,4,6-tetra-O-acetyl-beta-D-chloroglucose|66966-08-3|(3,4,5-triacetyloxy-6-chlorooxan-2-yl)methyl acetate|SCHEMBL19680965|SCHEMBL22852931|DTXSID00931527|(2R,3R,4S,5R,6S)-2-(Acetoxymethyl)-6-chloro-tetrahydro-2H-pyran-3,4,5-triyl triacetate|AKOS030212688

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2, 3, 4, 6-tetra-O-acetyl-beta-D-chloroglucose | 66966-08-3 | (3, 4, 5-triacetyloxy-6-chlorooxan-2-yl)methyl acetate | SCHEMBL19680965 | SCHEMBL22852931 | DTXSID00931527 | (2R, 3R, 4S, 5R, 6S)-2-(Acetoxymethyl)-6-chloro-tetrahydro-2H-pyran-3, 4, 5-triyl triacetate | AKOS030212688

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OCC1C(C(C(C(O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: (3,4,5-triacetyloxy-6-chlorooxan-2-yl)methyl acetate
• InChIKey: BYWPSIUIJNAJDV-UHFFFAOYSA-N
• INCHI: 1S/C14H19ClO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3
• Isómeros SMILES: CC(=O)OCC1C(C(C(C(O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C
• CAS alternativo: 14257-40-0
• Peso molecular: 366.748
• Reaxy-Rn: 56715486
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56715486&ln=

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 Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Monosaccharide - Oxane - Carboxylic acid ester - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxide - Alkyl chloride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - 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: 366.750 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 366.072 Da
• Monoisotopic Mass: 366.072 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 506.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1