Hydroxy-PEG6-t-butyl ester - ≥95% , CAS No.361189-64-2

CAS: 361189-64-2 Cat. No.: H463462 Molecular Weight: 410.5 EC Number: 851-156-9

GRADE & PURITY ≥95%

Synonyms

A913570 | SY236938 | alpha-Hydroxy-omega-carboxy t-butyl ester hexa(ethylene glycol) | AMY30992 | HO-PEG6-CO-OtBu | MFCD13185017 | AKOS030213556 | BP-20414 | OH-PEG6-CH2CH2COOtBu | HO-PEG(6)-CO-OTBU | HO-PEG6-CH2CH2COOtBu | S10651 | HY-141203 | tert-butyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Description

This heterobifunctional, PEGylated crosslinker features a hydroxyl group at one end and t-butyl-protected carboxylic acid at the other, which can be deprotected with acidic conditions. The hydrophillic PEG linker facilitates solubility in biological applications. Hydroxy-PEG6-t-butyl ester can be used for bioconjugation or as a building block for synthesis of small molecules, conjugates of small molecules and/or biomolecules, or other tool compounds for chemical biology and medicinal chemistry that require ligation. Examples of applications include its synthetic incorporation into antibody-drug conjugates or roteolysis-targeting chimeras (PROTAC®molecules) fortargeted protein degradation.

Specifications

Synonyms

A913570 | SY236938 | alpha-Hydroxy-omega-carboxy t-butyl ester hexa(ethylene glycol) | AMY30992 | HO-PEG6-CO-OtBu | MFCD13185017 | AKOS030213556 | BP-20414 | OH-PEG6-CH2CH2COOtBu | HO-PEG(6)-CO-OTBU | HO-PEG6-CH2CH2COOtBu | S10651 | HY-141203 | tert-butyl

Specifications & Purity

≥95%

Legal Information

PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488201499
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201499
• Canonical Smiles: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO
• IUPAC Name: tert-butyl 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: VGGDPFAYSOSIOK-UHFFFAOYSA-N
• INCHI: 1S/C19H38O9/c1-19(2,3)28-18(21)4-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-5-20/h20H,4-17H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO
• Molecular Weight: 410.5
• Reaxy-Rn: 22239652
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22239652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

• Refractive Index: n/D 1.454
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 410.500 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 22
• Exact Mass: 410.252 Da
• Monoisotopic Mass: 410.252 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 345.000
• 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