TCO-PEG8-DBCO

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TCO-PEG8-DBCO

TCO-PEG8-DBCO

Catalog Number R15-0015
Category Trans Cyclooctene (TCO)
Molecular Formula C46H65N3O12
Molecular Weight 852.0
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Product Introduction

TCO-PEG8-DBCO is a heterobifunctional crosslinker that incorporates both trans-cyclooctene (TCO) and dibenzocyclooctyne (DBCO) functionalities. This reagent is designed for bioorthogonal chemistry, enabling strain-promoted azide-alkyne cycloaddition (SPAAC) reactions without the need for copper catalysis. The polyethylene glycol (PEG) spacer enhances solubility and flexibility, making it suitable for applications in biomolecule conjugation, surface modification, and polymer functionalization.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

IUPAC Name [(4E)-cyclooct-4-en-1-yl] N-[2-[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]ethyl]carbamate
SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C46H65N3O12/c50-44(47-20-18-45(51)49-38-41-12-7-6-10-39(41)16-17-40-11-8-9-15-43(40)49)19-22-53-24-26-55-28-30-57-32-34-59-36-37-60-35-33-58-31-29-56-27-25-54-23-21-48-46(52)61-42-13-4-2-1-3-5-14-42/h1-2,6-12,15,42H,3-5,13-14,18-38H2,(H,47,50)(H,48,52)/b2-1+
InChIKey CSYNXLAJSWOHQE-OWOJBTEDSA-N

Product Specification

Storage -20 °C

Application

Computed Properties

XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 32
Exact Mass 851.45682452 g/mol
Monoisotopic Mass 851.45682452 g/mol
Topological Polar Surface Area 162Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1290
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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