Azidobutanamide-Tri-(m-PEG8-ethoxymethyl)-methane

Name: Azidobutanamide-Tri-(m-PEG8-ethoxymethyl)-methane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R14-0034
Category	Azides
Molecular Formula	C68H133N7O31
Molecular Weight	1544.8

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Product Introduction

Azidobutanamide-Tri-(m-PEG8-ethoxymethyl)-methane features an azide functional group, which participates in copper-catalyzed azide–alkyne cycloaddition, enabling its use in click chemistry applications. This reagent's molecular architecture incorporates a tri-arm structure with m-PEG8-ethoxymethyl linkers, facilitating its integration into bioconjugation and polymer functionalization strategies. It is often used in the modification of biomolecules and surfaces, allowing for efficient labeling and immobilization processes in bioorthogonal chemistry.

Chemical Information
Product Specification
Computed Properties

Chemical Information

Purity	98%
IUPAC Name	4-azido-N-[1,3-bis[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]butanamide
SMILES	COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCCN=[N+]=[N-]
InChI	InChI=1S/C68H133N7O31/c1-80-19-22-86-31-34-92-43-46-98-55-58-101-52-49-95-40-37-89-28-25-83-16-10-70-64(76)6-13-104-61-68(74-67(79)5-4-9-73-75-69,62-105-14-7-65(77)71-11-17-84-26-29-90-38-41-96-50-53-102-59-56-99-47-44-93-35-32-87-23-20-81-2)63-106-15-8-66(78)72-12-18-85-27-30-91-39-42-97-51-54-103-60-57-100-48-45-94-36-33-88-24-21-82-3/h4-63H2,1-3H3,(H,70,76)(H,71,77)(H,72,78)(H,74,79)
InChIKey	GZVJEOKFSGTBML-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Product Specification

Storage

-20 °C

Computed Properties

XLogP3	-5.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	92
Exact Mass	1543.9046005 g/mol
Monoisotopic Mass	1543.9046005 g/mol
Topological Polar Surface Area	380Å²
Heavy Atom Count	106
Formal Charge	0
Complexity	1730
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