DBCO-PEG6-NH-Boc

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DBCO-PEG6-NH-Boc

DBCO-PEG6-NH-Boc

Catelog Number R01-0354
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C38H53N3O10
Molecular Weight 711.9
Catalog Number Size Price Quantity
R01-0354 -- $--

Product Introduction

DBCO-PEG6-NH-Boc is a click chemistry reagent with a DBCO group and a Boc-protected amine. The DBCO can undergo copper-free Click Chemistry reactions with azides. The Boc protecting group can be removed under acidic conditions. 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-[[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]ethyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C38H53N3O10/c1-38(2,3)51-37(44)40-17-19-46-21-23-48-25-27-50-29-28-49-26-24-47-22-20-45-18-16-39-35(42)14-15-36(43)41-30-33-10-5-4-8-31(33)12-13-32-9-6-7-11-34(32)41/h4-11H,14-30H2,1-3H3,(H,39,42)(H,40,44)
InChI Key WMGCEDAXFFPJCV-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF

Product Specification

Storage -20 °C

Computed Properties

XLogP3 1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 26
Exact Mass 711.37309490 g/mol
Monoisotopic Mass 711.37309490 g/mol
Topological Polar Surface Area 143Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1070
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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