(S)-3-Amino-2,2-dimethyl-4-oxoazetidin-1-yl hydrogen sulfate - ≥98% , CAS No.102507-49-3

CAS: 102507-49-3 Cat. No.: S1008071 Peso molecular: 210.21 PubChem CID: 14010110

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1(C(C(=O)N1OS(=O)(=O)O)N)C
• IUPAC Name: [(3S)-3-amino-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate
• InChIKey: CDGJTKZKKHLQQN-GSVOUGTGSA-N
• INCHI: 1S/C5H10N2O5S/c1-5(2)3(6)4(8)7(5)12-13(9,10)11/h3H,6H2,1-2H3,(H,9,10,11)/t3-/m1/s1
• Isómeros SMILES: CC1([C@@H](C(=O)N1OS(=O)(=O)O)N)C
• PubChem CID: 14010110
• Peso molecular: 210.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Alpha amino acids and derivatives Organic sulfuric acids and derivatives Azetidines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Monobactam - Alpha-amino acid or derivatives - Organic sulfuric acid or derivatives - Amino acid or derivatives - Azetidine - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
• 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: 210.210 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 210.031 Da
• Monoisotopic Mass: 210.031 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 329.000
• 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: 1