m-PEG6-DBCO

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

Catalog Number	R01-0367
Category	Cycloalkyne Dyes (DBCO)
Molecular Formula	C32H42N2O8
Molecular Weight	582.7

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Product Introduction

m-PEG6-DBCO is a reagent that combines a dibenzocyclooctyne (DBCO) moiety with a methoxy polyethylene glycol (m-PEG) chain. This compound features the DBCO group, which is known for its ability to participate in strain-promoted azide-alkyne cycloaddition (SPAAC) reactions, an essential aspect of bioorthogonal chemistry. The m-PEG6 segment provides solubility and flexibility, making m-PEG6-DBCO suitable for applications in biomolecule conjugation, surface modification, and polymer functionalization where copper-free click chemistry is desired.

Chemical Information
Product Specification
Computed Properties

Chemical Information

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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
SMILES	COCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI	InChI=1S/C32H42N2O8/c1-37-16-17-39-20-21-41-24-25-42-23-22-40-19-18-38-15-14-33-31(35)12-13-32(36)34-26-29-8-3-2-6-27(29)10-11-28-7-4-5-9-30(28)34/h2-9H,12-26H2,1H3,(H,33,35)
InChIKey	UKYUKFLMFXICNZ-UHFFFAOYSA-N

Product Specification

Storage

-20 °C

Computed Properties

XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	21
Exact Mass	582.29411630 g/mol
Monoisotopic Mass	582.29411630 g/mol
Topological Polar Surface Area	105Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	828
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