Propargyl-PEG8-NHS ester - ≥98% , CAS No.2182601-74-5

CAS: 2182601-74-5 Cat. No.: P596420 Molecular Weight: 533.6 PubChem CID: 129627650

GRADE & PURITY ≥98%

Synonyms

BP-23778 | F72270 | 2,5-Dioxopyrrolidin-1-yl 4,7,10,13,16,19,22,25-octaoxaoctacos-27-yn-1-oate | Propargyl-PEG7-CH2CH2COONHS | 2182601-74-5 | DTXSID501131588 | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Propargyl-PEG8-NHS ester is a PEG derivative containing a propargyl group and an NHS ester group. The hydrophilic PEG spacer increases solubility in aqueous media. This reagent is an amine reactive reagent for derivatizing peptides, antibodies, amine coated surfaces etc. 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

BP-23778 | F72270 | 2, 5-Dioxopyrrolidin-1-yl 4, 7, 10, 13, 16, 19, 22, 25-octaoxaoctacos-27-yn-1-oate | Propargyl-PEG7-CH2CH2COONHS | 2182601-74-5 | DTXSID501131588 | (2, 5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethox

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#CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: PFFLYBWAOVXONG-UHFFFAOYSA-N
• INCHI: 1S/C24H39NO12/c1-2-6-29-8-10-31-12-14-33-16-18-35-20-21-36-19-17-34-15-13-32-11-9-30-7-5-24(28)37-25-22(26)3-4-23(25)27/h1H,3-21H2
• Isomeric SMILES: C#CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• PubChem CID: 129627650
• Molecular Weight: 533.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Carboxylic acid salts Monocarboxylic acids and derivatives Haloacetylenes and derivatives Dialkyl ethers Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Carboxylic acid salt - Haloacetylene or derivatives - Acetylide - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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: Solubility in DCM
• Molecular Weight: 533.600 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 27
• Exact Mass: 533.247 Da
• Monoisotopic Mass: 533.247 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 649.000
• 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