Azido-PEG3-NHS ester - ≥98% , CAS No.1245718-89-1

CAS: 1245718-89-1 Cat. No.: A595241 Peso molecular: 344.32 PubChem CID: 77078451

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Azido-PEG3-NHS ester is a PEG derivative containing an azide group and an NHS ester. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCN=[N+]=[N-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoate
• InChIKey: BNLXVOZUEBSSRI-UHFFFAOYSA-N
• INCHI: 1S/C13H20N4O7/c14-16-15-4-6-22-8-10-23-9-7-21-5-3-13(20)24-17-11(18)1-2-12(17)19/h1-10H2
• Isómeros SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCN=[N+]=[N-]
• PubChem CID: 77078451
• Peso molecular: 344.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Azo imides Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Azo compound - Azo imide - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility in Water, DMSO, DCM, DMF
• Peso molecular: 344.320 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 344.133 Da
• Monoisotopic Mass: 344.133 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 463.000
• 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