Propargyl-PEG4-CH2CO2H - ≥98% , CAS No.1694731-93-5

CAS: 1694731-93-5 Cat. No.: P595928 Molecular Weight: 246.3 EC Number: 849-225-3 PubChem CID: 91757748

GRADE & PURITY ≥98%

Synonyms

AKOS040742470 | 3,6,9,12-tetraoxapentadec-14-yn-1-oic acid | 3,6,9,12-TETRAOXAPENTADEC-14-YNOIC ACID | AT11892 | HY-130563 | 1694731-93-5 | Propargyl-PEG4-CH2CO2H | SCHEMBL18332577 | WS-00375 | BP-22737 | 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Propargyl-PEG4-CH2CO2H is a PEG derivative containing a propargyl group with a terminal carboxylic acid. The terminal carboxylic acid can be reacted with primary amine groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond. The hydrophilic PEG spacer increases solubility in aqueous media. The propargyl group can be reacted with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage.

Specifications

Synonyms

AKOS040742470 | 3, 6, 9, 12-tetraoxapentadec-14-yn-1-oic acid | 3, 6, 9, 12-TETRAOXAPENTADEC-14-YNOIC ACID | AT11892 | HY-130563 | 1694731-93-5 | Propargyl-PEG4-CH2CO2H | SCHEMBL18332577 | WS-00375 | BP-22737 | 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetic

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#CCOCCOCCOCCOCC(=O)O
• IUPAC Name: 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetic acid
• InChIKey: MJRNNISHHNMYAE-UHFFFAOYSA-N
• INCHI: 1S/C11H18O6/c1-2-3-14-4-5-15-6-7-16-8-9-17-10-11(12)13/h1H,3-10H2,(H,12,13)
• Isomeric SMILES: C#CCOCCOCCOCCOCC(=O)O
• Alternate CAS: 1694731-93-5
• PubChem CID: 91757748
• Molecular Weight: 246.3

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 Dialkyl ethers Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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: 246.260 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 246.11 Da
• Monoisotopic Mass: 246.11 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 231.000
• 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