(4S)-isoxazolidin-4-ol;hydrochloride - ≥97% , CAS No.338464-55-4

CAS: 338464-55-4 Cat. No.: I678937 Peso molecular: 125.55 Número EC: 886-464-2 PubChem CID: 66855047

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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: C1C(CON1)O.Cl
• IUPAC Name: (4S)-1,2-oxazolidin-4-ol;hydrochloride
• InChIKey: LLCWGQYEQKYRDO-DFWYDOINSA-N
• INCHI: 1S/C3H7NO2.ClH/c5-3-1-4-6-2-3;/h3-5H,1-2H2;1H/t3-;/m0./s1
• Isómeros SMILES: C1[C@@H](CON1)O.Cl
• PubChem CID: 66855047
• Peso molecular: 125.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Isoxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Isoxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazolidines
• Alternative Parents: Secondary alcohols Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Isoxazolidine - Secondary alcohol - Oxacycle - Azacycle - N-organohydroxylamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoxazolidines. These are organic heterocyclic compounds containing an isoxazolidine moiety, with a structure characterized by a five-member saturated aliphatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
• 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: 125.550 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 125.024 Da
• Monoisotopic Mass: 125.024 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

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