Sodium iodoacetate - UltraBio™, ≥99.5%(NT) , CAS No.305-53-3

CAS: 305-53-3 Cat. No.: S755677 Formula: C₂H₂INaO₂ Molecular Weight: 207.93 Beilstein Registry Number: 4009322 EC Number: 206-165-7

GRADE & PURITY UltraBio™, ≥99.5%(NT)

Synonyms

Iodoacetic acid sodium salt

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Reagent for the modification of cysteine residues in proteins. Used in protein sequencing (including by Sanger in sequencing bovine insulin) to prevent oxidation of -SH sidechains.

Reagent for the modification of cysteine residues in proteins. Used to induce animal osteoarthritis model system, which mimics both symptoms and histopathology of the human disease.

Specifications

Synonyms

Iodoacetic acid sodium salt

Specifications & Purity

UltraBio™, ≥99.5%(NT)

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

UltraBio™

Purity

≥99.5%(NT)

Names and Identifiers

Canonical Smiles

C(C(=O)[O-])I.[Na+]

IUPAC Name

sodium;2-iodoacetate

InChIKey

AGDSCTQQXMDDCV-UHFFFAOYSA-M

INCHI

1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

Isomeric SMILES

C(C(=O)[O-])I.[Na+]

WGK Germany

3

RTECS

AI3675000

UN Number

2811

Molecular Weight

207.93

Beilstein

4009322

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alkyl halide - Organic salt - Organooxygen compound - Organoiodide - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl iodide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

• Solubility: methanol: 0.1 M at 20 °C, clear, colorless
• Sensitivity: Light sensitive；Moisture sensitive
• Melt Point(°C): 208°C
• Molecular Weight: 207.930 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.9 Da
• Monoisotopic Mass: 207.9 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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

XLogP3