PEG21 - ≥98% , CAS No.351342-08-0

CAS: 351342-08-0 Cat. No.: P596772 Molecular Weight: 899.07

GRADE & PURITY ≥98%

Synonyms

HO-PEG20-OH | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-Nonadecaoxanonapentacontane-1,59-diol

Storage

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

Shipped In

Ice chest + Ice pads

Overview

PEG21 is a polymer of ethylene glycol subunits with two terminal hydroxyl groups. The hydroxyl groups can be reacted to further derivatize the compound. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media. The water solubility properties of the PEG chain are enhanced with longer PEG chains.

Specifications

Synonyms

HO-PEG20-OH | 3, 6, 9, 12, 15, 18, 21, 24, 27, 30, 33, 36, 39, 42, 45, 48, 51, 54, 57-Nonadecaoxanonapentacontane-1, 59-diol

Specifications & Purity

≥98%

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• InChIKey: ZHMUMDLGQBRJIW-UHFFFAOYSA-N
• INCHI: 1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
• Isomeric SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
• Molecular Weight: 899.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 899.100 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 58
• Exact Mass: 898.535 Da
• Monoisotopic Mass: 898.535 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 61
• Formal Charge: 0
• Complexity: 693.000
• 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

References

1. Naijie Wang, Di Qin, Qiu Sun, Xiangqun Chen, Ying Song, Tiezhu Xin.  (2023)  Single-Ion Conducting Polyurethane-Ester Solid Polymer Electrolyte Membrane toward Lithium Metal Batteries.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.2c02197]