DBCO-PEG23-NH-Boc

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DBCO-PEG23-NH-Boc

DBCO-PEG23-NH-Boc

Catalog Number R01-0352
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C72H121N3O27
Molecular Weight 1460.8
Catalog Number Size Price Quantity
R01-0352 -- $--

Product Introduction

DBCO-PEG23-NH-Boc is a long chain click chemistry reagent. The DBCO can undergo copper-free Click Chemistry reactions with azides. The Boc protecting group can be deprotected under acidic condition to free the amine. The hydrophilic PEG linker increases the water solubility of the compound.

Chemical Information

Purity 98%
IUPAC Name tert-butyl 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-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C72H121N3O27/c1-72(2,3)102-71(78)74-17-19-80-21-23-82-25-27-84-29-31-86-33-35-88-37-39-90-41-43-92-45-47-94-49-51-96-53-55-98-57-59-100-61-63-101-62-60-99-58-56-97-54-52-95-50-48-93-46-44-91-42-40-89-38-36-87-34-32-85-30-28-83-26-24-81-22-20-79-18-16-73-69(76)14-15-70(77)75-64-67-10-5-4-8-65(67)12-13-66-9-6-7-11-68(66)75/h4-11H,14-64H2,1-3H3,(H,73,76)(H,74,78)
InChI Key OZBQVWBGBAGGFC-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 27
Rotatable Bond Count 77
Exact Mass 1459.81874559 g/mol
Monoisotopic Mass 1459.81874559 g/mol
Topological Polar Surface Area 300Ų
Heavy Atom Count 102
Formal Charge 0
Complexity 1950
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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