m-PEG8-DBCO

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m-PEG8-DBCO

m-PEG8-DBCO

Catelog Number R01-0364
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₆H₅₀N₂O₁₀
Molecular Weight 670.79
Catalog Number Size Price Quantity
R01-0364 -- $--

Product Introduction

m-PEG8-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. m-PEG8-DBCO can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C36H50N2O10/c1-41-16-17-43-20-21-45-24-25-47-28-29-48-27-26-46-23-22-44-19-18-42-15-14-37-35(39)12-13-36(40)38-30-33-8-3-2-6-31(33)10-11-32-7-4-5-9-34(32)38/h2-9H,12-30H2,1H3,(H,37,39)
InChI Key DVNRUJGRVFXMTC-UHFFFAOYSA-N

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 27
Exact Mass 670.34654580 g/mol
Monoisotopic Mass 670.34654580 g/mol
Topological Polar Surface Area 123Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 925
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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