2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl 2,2,2-Trichloroacetimidate - ≥98%(N) , CAS No.92052-29-4

CAS: 92052-29-4 Cat. No.: T161872 Peso molecular: 492.68 PubChem CID: 11038322

GRADE & PURITY ≥98%(N)

Synonyms

AMY41454 | [(2R,3R,4S,5R,6S)-3,4,5-TRIS(ACETYLOXY)-6-[(2,2,2-TRICHLOROETHANIMIDOYL)OXY]OXAN-2-YL]METHYL ACETATE | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate | 2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyltr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AMY41454 | [(2R, 3R, 4S, 5R, 6S)-3, 4, 5-TRIS(ACETYLOXY)-6-[(2, 2, 2-TRICHLOROETHANIMIDOYL)OXY]OXAN-2-YL]METHYL ACETATE | [(2R, 3R, 4S, 5R, 6S)-3, 4, 5-triacetyloxy-6-(2, 2, 2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate | 2, 3, 4, 6-Tetra-O-acetyl-b-D-glucopyranosyltr

Especificaciones y pureza

≥98%(N)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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

≥98%(N)

Nombres e identificadores

• Pubchem Sid: 488197085
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197085
• Sonrisas canónicas: CC(=O)OCC1C(C(C(C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methyl acetate
• InChIKey: IBUZGVQIKARDAF-RGDJUOJXSA-N
• INCHI: 1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
• Isómeros SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
• PubChem CID: 11038322
• Peso molecular: 492.68
• Reaxy-Rn: 4240497

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: O-glycosyl compounds Oxanes Monosaccharides Imidoesters Carboxylic acid esters Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Carboxylic acid ester - Imido ester - Acetal - Carboximidic acid derivative - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Alkyl halide - 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

• Sensibilidad: Sensitivity to heat
• Rotación específica [α]: +6.0 to +9.0°
• Punto de fusión (°C): 154.0 - 160.0 °C
• Peso molecular: 492.700 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 491.015 Da
• Monoisotopic Mass: 491.015 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 695.000
• 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