DBCO-PEG8-DBCO

Name: DBCO-PEG8-DBCO
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R01-0375
Category	Cycloalkyne Dyes (DBCO)
Molecular Formula	C56H66N4O12
Molecular Weight	987.2

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Product Introduction

DBCO-PEG8-DBCO is a bifunctional reagent characterized by the presence of two dibenzocyclooctyne (DBCO) groups linked through an eight-unit polyethylene glycol (PEG) spacer. It features a strain-promoted alkyne-azide cycloaddition (SPAAC) capability, allowing it to participate in copper-free click chemistry reactions with azide-functionalized molecules. This reagent is commonly used in bioconjugation and polymer functionalization applications, where the PEG linker provides flexibility and hydrophilicity, facilitating the assembly of complex macromolecular structures or surface modifications.

Chemical Information
Product Specification
Computed Properties

Chemical Information

IUPAC Name	N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILES	C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI	InChI=1S/C56H66N4O12/c61-53(57-25-21-55(63)59-43-49-13-3-1-9-45(49)17-19-47-11-5-7-15-51(47)59)23-27-65-29-31-67-33-35-69-37-39-71-41-42-72-40-38-70-36-34-68-32-30-66-28-24-54(62)58-26-22-56(64)60-44-50-14-4-2-10-46(50)18-20-48-12-6-8-16-52(48)60/h1-16H,21-44H2,(H,57,61)(H,58,62)
InChIKey	WORGGWSVRRPHFH-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Product Specification

Storage

-20 °C

Computed Properties

XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	33
Exact Mass	986.46772355 g/mol
Monoisotopic Mass	986.46772355 g/mol
Topological Polar Surface Area	173Å²
Heavy Atom Count	72
Formal Charge	0
Complexity	1620
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