DBCO-PEG23-amine TFA salt

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DBCO-PEG23-amine TFA salt

DBCO-PEG23-amine TFA salt

Catalog Number R01-0400
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C69H114F3N3O27
Molecular Weight 1474.7
Catalog Number Size Price Quantity
R01-0400 -- $--

Product Introduction

DBCO-PEG23-amine TFA salt is a PEG linker which contains DBCO and amine moieties. The DBCO group is commonly used in copper-free Click Chemistry reactions. The amine group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The hydrophilic PEG spacer increases the water solubility of the compound.

Chemical Information

Synonyms DBCO-PEG23-amine
Purity 98%
IUPAC Name N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI InChI=1S/C67H113N3O25/c68-13-15-73-17-19-75-21-23-77-25-27-79-29-31-81-33-35-83-37-39-85-41-43-87-45-47-89-49-51-91-53-55-93-57-59-95-60-58-94-56-54-92-52-50-90-48-46-88-44-42-86-40-38-84-36-34-82-32-30-80-28-26-78-24-22-76-20-18-74-16-14-69-66(71)11-12-67(72)70-61-64-7-2-1-5-62(64)9-10-63-6-3-4-8-65(63)70/h1-8H,11-61,68H2,(H,69,71)
InChI Key NLDOMACCXIMRCH-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 26
Rotatable Bond Count 74
Exact Mass 1359.76631610 g/mol
Monoisotopic Mass 1359.76631610 g/mol
Topological Polar Surface Area 288Ų
Heavy Atom Count 95
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
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