DBCO-PEG9-NH-Boc

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DBCO-PEG9-NH-Boc

DBCO-PEG9-NH-Boc

Catelog Number R01-0353
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₄₄H₆₅N₃O₁₃
Molecular Weight 844.00
Catalog Number Size Price Quantity
R01-0353 -- $--

Product Introduction

DBCO-PEG9-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG9-NH-Boc can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C44H65N3O13/c1-44(2,3)60-43(50)46-17-19-52-21-23-54-25-27-56-29-31-58-33-35-59-34-32-57-30-28-55-26-24-53-22-20-51-18-16-45-41(48)14-15-42(49)47-36-39-10-5-4-8-37(39)12-13-38-9-6-7-11-40(38)47/h4-11H,14-36H2,1-3H3,(H,45,48)(H,46,50)
InChI Key QMJGMMIRBYHKOK-UHFFFAOYSA-N

Product Specification

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

Computed Properties

XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 35
Exact Mass 843.45173914 g/mol
Monoisotopic Mass 843.45173914 g/mol
Topological Polar Surface Area 171Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1220
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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