DBCO-PEG1-NH-Boc

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DBCO-PEG1-NH-Boc

DBCO-PEG1-NH-Boc

Catalog Number R01-0357
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C28H33N3O5
Molecular Weight 491.6
Catalog Number Size Price Quantity
R01-0357 -- $--

Product Introduction

DBCO-PEG1-NH-Boc is a PEG linker 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 to further react.

Chemical Information

Synonyms DBCO-PEG-tBoc, MW 3,400; tert-butyl N-{2-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethyl}carbamate
Purity 98%
IUPAC Name tert-butyl N-[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]ethyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C28H33N3O5/c1-28(2,3)36-27(34)30-17-19-35-18-16-29-25(32)14-15-26(33)31-20-23-10-5-4-8-21(23)12-13-22-9-6-7-11-24(22)31/h4-11H,14-20H2,1-3H3,(H,29,32)(H,30,34)
InChI Key YZCZDGHHGDLMRC-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 491.24202116 g/mol
Monoisotopic Mass 491.24202116 g/mol
Topological Polar Surface Area 97Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 824
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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