Glyphosine - analytical standard , CAS No.2439-99-8

CAS: 2439-99-8 Cat. No.: G114947 Fórmula: C₄H₁₁NO₈P₂ Peso molecular: 263.08 Beilstein Registry Number: 1884944 Número EC: 219-468-4

GRADE & PURITY Analytical standard

Synonyms

N-(Carboxymethyl)iminodi(methylphosphinic acid) | N,N-Bis(phosphonomethyl)glycine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(Carboxymethyl)iminodi(methylphosphinic acid) | N,N-Bis(phosphonomethyl)glycine

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Patrón analítico

Nombres e identificadores

Sonrisas canónicas

C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O

IUPAC Name

2-[bis(phosphonomethyl)amino]acetic acid

InChIKey

OXHDYFKENBXUEM-UHFFFAOYSA-N

INCHI

1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)

Isómeros SMILES

C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O

WGK Alemania

1

RTECS

MB9120000

Número ONU

3261

Grupo de embalaje

III

Peso molecular

263.08

Beilstein

1884944

Reaxy-Rn

1884944

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1884944&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Organophosphonic acid derivative - Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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: tertiary amino compound - glycine derivative - phosphonic acids

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 200°C
• Peso molecular: 263.080 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 262.996 Da
• Monoisotopic Mass: 262.996 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 293.000
• 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: 1

Preguntas frecuentes

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2439-99-8, the molecular formula is C4H11NO8P2, and the molecular weight is 263.08 g/mol. InChIKey OXHDYFKENBXUEM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.