Hydroxy-PEG2-sulfonic acid - ≥98% , CAS No.112724-27-3

CAS: 112724-27-3 Cat. No.: H595588 Molecular Weight: 214.23 PubChem CID: 19920842

GRADE & PURITY ≥98%

Synonyms

2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHANESULFONIC ACID | HYDROXY-PEG2-SULFONICACID | Hydroxy-PEG2-C2-sulfonic acid | SCHEMBL7527691 | HY-121507 | 2-[2-(2-Hydroxyethoxy)ethoxy]ethane-1-sulfonic acid | Hydroxy-PEG2-sulfonic acid | 2-(2-(2-hydroxyethoxy)ethoxy)eth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Hydroxy-PEG2-sulfonic acid is a PEG derivative containing hydroxyl and sulfonic acid moieties. The hydroxyl group can be reacted to further derivatize the compound. The sulfonic acid group can participate in esterification, halogenation and replacement reactions. The hydrophilic PEG linkers increase the water solubility of the compound in aqueous media.

Specifications

Synonyms

2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHANESULFONIC ACID | HYDROXY-PEG2-SULFONICACID | Hydroxy-PEG2-C2-sulfonic acid | SCHEMBL7527691 | HY-121507 | 2-[2-(2-Hydroxyethoxy)ethoxy]ethane-1-sulfonic acid | Hydroxy-PEG2-sulfonic acid | 2-(2-(2-hydroxyethoxy)ethoxy)eth

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(COCCOCCS(=O)(=O)O)O
• IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanesulfonic acid
• InChIKey: DBAKPINNORMQCO-UHFFFAOYSA-N
• INCHI: 1S/C6H14O6S/c7-1-2-11-3-4-12-5-6-13(8,9)10/h7H,1-6H2,(H,8,9,10)
• Isomeric SMILES: C(COCCOCCS(=O)(=O)O)O
• PubChem CID: 19920842
• Molecular Weight: 214.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen 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

• Molecular Weight: 214.240 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 214.051 Da
• Monoisotopic Mass: 214.051 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 194.000
• 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