mPEG₁₆-OH - ≥98% , CAS No.133604-58-7

CAS: 133604-58-7 Cat. No.: M122032 Formula: C₃₃H₆₈O₁₇ Molecular Weight: 736.88

GRADE & PURITY ≥98%

Synonyms

Methoxyl-PEG16-alcohol|2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol|2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-Hexadecaoxanonatetracontan-49-ol|Hexadecaethylene glycol monomethyl ether|mPEG16-OH|m-PEG16-alcohol

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

m-PEG16-alcohol is a type of PEG-based PROTAC linker, which can be used for the synthesis of PROTAC molecules.

Specifications

Synonyms

Methoxyl-PEG16-alcohol | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-Hexadecaoxanonatetracontan-49-ol | Hexadecaethylene glycol monomethyl ether | mPEG16-OH | m-PEG16-alc Show more

Specifications & Purity

≥98%

Storage

Store at -20°C,Desiccated

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

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

IUPAC Name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

InChIKey

GMNLVYXCNRUMTN-UHFFFAOYSA-N

INCHI

1S/C33H68O17/c1-35-4-5-37-8-9-39-12-13-41-16-17-43-20-21-45-24-25-47-28-29-49-32-33-50-31-30-48-27-26-46-23-22-44-19-18-42-15-14-40-11-10-38-7-6-36-3-2-34/h34H,2-33H2,1H3

Isomeric SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

Molecular Weight

736.88

Reaxy-Rn

4620040

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4620040&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: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 736.900 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 47
• Exact Mass: 736.446 Da
• Monoisotopic Mass: 736.446 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 582.000
• 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