Propargyl-PEG4-S-PEG4-acid

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Propargyl-PEG4-S-PEG4-acid

Propargyl-PEG4-S-PEG4-acid | 2055041-20-6

Catalog Number R01-0099
Category Alkynes
Molecular Formula C₂₂H₄₀O₁₀S
Molecular Weight 496.61
Catalog Number Size Price Quantity
R01-0099 -- $--

Product Introduction

Propargyl-PEG4-S-PEG4-acid is a polyethylene glycol (PEG)-based PROTAC linker. Propargyl-PEG4-S-PEG4-acid can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 4,7,10,13,19,22,25,28-octaoxa-16-thiahentriacont-30-ynoic acid
Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C#CCOCCOCCOCCOCCSCCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C22H40O10S/c1-2-4-25-6-8-27-10-12-29-14-16-31-18-20-33-21-19-32-17-15-30-13-11-28-9-7-26-5-3-22(23)24/h1H,3-21H2,(H,23,24)
InChI Key QVWMBQWXZOTYHL-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 28
Exact Mass 496.23421864 g/mol
Monoisotopic Mass 496.23421864 g/mol
Topological Polar Surface Area 136Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 458
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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