DBCO-PEG6-DBCO

Name: DBCO-PEG6-DBCO
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R01-0376
Category	Cycloalkyne Dyes (DBCO)
Molecular Formula	C52H58N4O10
Molecular Weight	899.1

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Product Introduction

DBCO-PEG6-DBCO is a bifunctional reagent featuring two dibenzocyclooctyne (DBCO) moieties linked by a hexaethylene glycol (PEG6) spacer. The presence of DBCO groups allows for strain-promoted azide-alkyne cycloaddition (SPAAC) reactions, facilitating copper-free click chemistry applications. This compound is often utilized in bioconjugation strategies where the PEG6 linker imparts flexibility and solubility, enabling efficient macromolecular assembly and surface modification.

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-[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]propanamide
SMILES	C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI	InChI=1S/C52H58N4O10/c57-49(53-25-21-51(59)55-39-45-13-3-1-9-41(45)17-19-43-11-5-7-15-47(43)55)23-27-61-29-31-63-33-35-65-37-38-66-36-34-64-32-30-62-28-24-50(58)54-26-22-52(60)56-40-46-14-4-2-10-42(46)18-20-44-12-6-8-16-48(44)56/h1-16H,21-40H2,(H,53,57)(H,54,58)
InChIKey	ZUUWARFXSSTKLT-UHFFFAOYSA-N

Product Specification

Storage

-20 °C

Computed Properties

XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	27
Exact Mass	898.41529406 g/mol
Monoisotopic Mass	898.41529406 g/mol
Topological Polar Surface Area	154Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1520
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