3-Phosphonopropionic acid - ≥94% , CAS No.5962-42-5

CAS: 5962-42-5 Cat. No.: P113856 Peso molecular: 154.06 Número EC: 227-738-8

GRADE & PURITY ≥94%

Synonyms

2-Carboxyethanephosphonic acid | 1iig | EINECS 227-738-8 | (2-Carboxyethyl)phosphonic Acid | 3-phosphopropionate | beta-Phosphonopropionic acid | CEPA cpd | CHEMBL1088324 | 8DM1R7808M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Carboxyethanephosphonic acid | 1iig | EINECS 227-738-8 | (2-Carboxyethyl)phosphonic Acid | 3-phosphopropionate | beta-Phosphonopropionic acid | CEPA cpd | CHEMBL1088324 | 8DM1R7808M

Especificaciones y pureza

≥94%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥94%

Nombres e identificadores

• Sonrisas canónicas: C(CP(=O)(O)O)C(=O)O
• IUPAC Name: 3-phosphonopropanoic acid
• InChIKey: NLBSQHGCGGFVJW-UHFFFAOYSA-N
• INCHI: 1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
• Isómeros SMILES: C(CP(=O)(O)O)C(=O)O
• WGK Alemania: 3
• RTECS: UA2558437
• Número ONU: 3261
• Peso molecular: 154.06
• Reaxy-Rn: 1768923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768923&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Organic phosphonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Organic phosphonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
• 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

Objetivos asociados (no humanos)

Fe(3+)-Zn(2+) purple acid phosphatase (65 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water。
• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): 302 °F
• Punto de inflamación (°C): 150℃
• Punto de fusión (°C): 165-166°C
• Peso molecular: 154.060 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 154.003 Da
• Monoisotopic Mass: 154.003 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 146.000
• 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

Referencias

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