3-(Methylphosphinico)propionic acid（MPP） - analytical standard , CAS No.15090-23-0

CAS: 15090-23-0 Cat. No.: M133020 Molecular Weight: 152.09 Beilstein Registry Number: 2242347 EC Number: 239-144-6

GRADE & PURITY Analytical standard

Synonyms

carboxyethylmethylphosphinic acid | 3-[hydroxy(methyl)phosphoryl]propanoic acid | 2-trichloroacetyl-1H-pyrrole | DTXSID50864553 | 3-Methylphosphinicopropionic acid 100 microg/mL in Acetonitrile | 3-(Hydroxymethylphosphinoyl)propionic acid | 3-(Hydroxymeth

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

3-(Methylphosphinico)propionic acid is a metabolite of the pesticide, glufosinate ammonium

Specifications

Synonyms

carboxyethylmethylphosphinic acid | 3-[hydroxy(methyl)phosphoryl]propanoic acid | 2-trichloroacetyl-1H-pyrrole | DTXSID50864553 | 3-Methylphosphinicopropionic acid 100 microg/mL in Acetonitrile | 3-(Hydroxymethylphosphinoyl)propionic acid | 3-(Hydroxymeth

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CP(=O)(CCC(=O)O)O
• IUPAC Name: 3-[hydroxy(methyl)phosphoryl]propanoic acid
• InChIKey: QXFUBAAEKCHBQY-UHFFFAOYSA-N
• INCHI: 1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
• Isomeric SMILES: CP(=O)(CCC(=O)O)O
• WGK Germany: 3
• Molecular Weight: 152.09
• Beilstein: 2242347
• Reaxy-Rn: 2242347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2242347&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Chemical and Physical Properties

• Molecular Weight: 152.090 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.024 Da
• Monoisotopic Mass: 152.024 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 153.000
• 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