Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate

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Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate

Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate

Catalog Number R01-0070
Category Alkynes
Molecular Formula C44H72N4O18
Molecular Weight 945.1
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Product Introduction

Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate is a specialized reagent featuring multiple propargyl groups, which are known for their reactivity in copper-catalyzed azide–alkyne cycloaddition reactions. This compound's molecular architecture, comprising PEG linkers and carboxylate functionalities, supports its integration into bioconjugation and surface modification protocols, enabling the creation of well-defined and stable constructs. The reagent is frequently utilized in applications requiring precise linker design and polymer functionalization, particularly where bioorthogonal chemistry is desired for the attachment of biomolecules or other functional entities.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Chemical Information

Purity 98%
IUPAC Name 3-[2-[2-[3-[[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
SMILES C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCC(=O)O
InChI InChI=1S/C44H72N4O18/c1-4-15-55-26-31-60-23-12-45-39(49)7-19-64-36-44(37-65-20-8-40(50)46-13-24-61-32-27-56-16-5-2,38-66-21-9-41(51)47-14-25-62-33-28-57-17-6-3)48-42(52)10-18-58-29-34-63-35-30-59-22-11-43(53)54/h1-3H,7-38H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)(H,53,54)
InChIKey KHUVFVVIOOWNDR-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Application

Computed Properties

XLogP3 -4.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 49
Exact Mass 944.48416146 g/mol
Monoisotopic Mass 944.48416146 g/mol
Topological Polar Surface Area 265Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1300
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

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