Glyphosate potassium , CAS No.70901-12-1

CAS: 70901-12-1 Cat. No.: G953435 Summenformel: C₃H₇KNO₅P Molekulargewicht: 207.17 EG-Nummer: 813-293-2 PubChem CID: 23716553

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

• Kanonisches Lächeln: C(C(=O)O)NCP(=O)(O)[O-].[K+]
• IUPAC Name: potassium;(carboxymethylamino)methyl-hydroxyphosphinate
• InChIKey: LIOPHZNMBKHGAV-UHFFFAOYSA-M
• INCHI: 1S/C3H8NO5P.K/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1
• Isomere SMILES: C(C(=O)O)NCP(=O)(O)[O-].[K+]
• PubChem CID: 23716553
• Molekulargewicht: 207.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Organic phosphonic acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organonitrogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Organophosphonic acid - Organophosphonic acid derivative - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 207.160 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 206.97 Da
• Monoisotopic Mass: 206.97 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 173.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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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