Methyltetrazine-PEG2-DBCO

Name: Methyltetrazine-PEG2-DBCO
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R01-0337
Category	Cycloalkyne Dyes (DBCO)
Molecular Formula	C32H30N6O4
Molecular Weight	562.6

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Product Introduction

Methyltetrazine-PEG2-DBCO is a bifunctional reagent that features a methyltetrazine moiety and a dibenzocyclooctyne (DBCO) group connected by a polyethylene glycol (PEG) linker. This compound participates in strain-promoted azide-alkyne cycloaddition (SPAAC) reactions, facilitating bioorthogonal conjugation without the need for copper catalysis. It is used in applications where rapid and selective covalent bonding is required, such as in the labeling of biomolecules and surface modification processes.

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-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethyl]-4-oxobutanamide
SMILES	CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChI	InChI=1S/C32H30N6O4/c1-23-34-36-32(37-35-23)26-12-14-28(15-13-26)42-21-20-41-19-18-33-30(39)16-17-31(40)38-22-27-8-3-2-6-24(27)10-11-25-7-4-5-9-29(25)38/h2-9,12-15H,16-22H2,1H3,(H,33,39)
InChIKey	LJLWQUVWXUTVLI-UHFFFAOYSA-N

Product Specification

Storage

-20 °C

Computed Properties

XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	562.23285346 g/mol
Monoisotopic Mass	562.23285346 g/mol
Topological Polar Surface Area	119Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	936
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