GRADE & PURITY 10mM in DMSO

Synonyms

Azido-PEG5-OTsEthanol,2-​[2-​[2-​[2-​(2-​azidoethoxy)​ethoxy]​ethoxy]​ethoxy]​-​,1-​(4-​methylbenzenesulfona​te)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Azide-PEG5-Tos (Azido-PEG5-OTs) is a cleavable 5-unit PEG ADC linker applied into the synthesis of antibody-drug conjugates (ADCs).

Specifications

Synonyms

Azido-PEG5-OTsEthanol, 2-​[2-​[2-​[2-​(2-​azidoethoxy)​ethoxy]​ethoxy]​ethoxy]​-​, 1-​(4-​methylbenzenesulfona​te)

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Azide-PEG5-Tos (Azido-PEG5-OTs) is a cleavable 5-unit PEG ADC linker applied into the synthesis of antibody-drug conjugates (ADCs).

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

• ALogP: 1.927
• hba_count: 6
• Rotatable Bond: 17

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCN=[N+]=[N-]
• IUPAC Name: 2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
• InChIKey: RCRFPWKHJGMATE-UHFFFAOYSA-N
• INCHI: 1S/C17H27N3O7S/c1-16-2-4-17(5-3-16)28(21,22)27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-19-20-18/h2-5H,6-15H2,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCN=[N+]=[N-]
• Molecular Weight: 417.48
• Reaxy-Rn: 28448697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28448697&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonate esters
• Alternative Parents: p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Azo imides Azo compounds Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Azo compound - Azo imide - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
• 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: 417.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 17
• Exact Mass: 417.157 Da
• Monoisotopic Mass: 417.157 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 527.000
• 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