Azido-PEG8-CH2CO2-PFP - ≥98% , CAS No.2182601-80-3

CAS: 2182601-80-3 Cat. No.: A596474 Molecular Weight: 619.5 PubChem CID: 131709286

GRADE & PURITY ≥98%

Synonyms

F82594 | R14-0292 | 2182601-80-3 | perfluorophenyl 26-azido-3,6,9,12,15,18,21,24-octaoxahexacosanoate | Azido-PEG8-CH2COO-PFP | Azido-PEG8-CH2CO2-PFP | 3,6,9,12,15,18,21,24-Octaoxahexacosanoic acid, 26-azido-, 2,3,4,5,6-pentafluorophenyl ester | HY-140774

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Azido-PEG8-CH2CO2-PFP is a PEG derivative that contains an azide group and a PFP group. The azide group can undergo copper-catalyzed Click Chemistry reactions to react with alkynes. The PFP group can react with amines to form stable bonds. PFP moieties are also less susceptible to undergo hydrolysis. The hydrophilic PEG spacer increases the water solubility of the compound. Longer PEG chains enhance the water solubility properties of the chain.

Specifications

Synonyms

F82594 | R14-0292 | 2182601-80-3 | perfluorophenyl 26-azido-3, 6, 9, 12, 15, 18, 21, 24-octaoxahexacosanoate | Azido-PEG8-CH2COO-PFP | Azido-PEG8-CH2CO2-PFP | 3, 6, 9, 12, 15, 18, 21, 24-Octaoxahexacosanoic acid, 26-azido-, 2, 3, 4, 5, 6-pentafluorophenyl ester | HY-140774

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(COCCOCCOCCOCCOCCOCCOCCOCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)N=[N+]=[N-]
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
• InChIKey: JAGMBOXHJXUFJS-UHFFFAOYSA-N
• INCHI: 1S/C24H34F5N3O10/c25-19-20(26)22(28)24(23(29)21(19)27)42-18(33)17-41-16-15-40-14-13-39-12-11-38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-31-32-30/h1-17H2
• Isomeric SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)N=[N+]=[N-]
• Alternate CAS: 2182601-80-3
• PubChem CID: 131709286
• Molecular Weight: 619.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Fluorobenzenes Aryl fluorides Carboxylic acid esters Azo imides Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Carboxylic acid ester - Azo imide - Azo compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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: 619.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 28
• Exact Mass: 619.216 Da
• Monoisotopic Mass: 619.216 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 716.000
• 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