DBCO-N-bis(PEG4-acid)

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DBCO-N-bis(PEG4-acid)

DBCO-N-bis(PEG4-acid)

Catelog Number R01-0078
Category Alkynes
Molecular Formula C41H56N2O14
Molecular Weight 800.9
Catalog Number Size Price Quantity
R01-0078 -- $--

Product Introduction

DBCO-N-bis(PEG4-acid) is a branched click chemistry reagent. The DBCO group enables copper-free Click Chemistry reactions. carboxylic acid groups allows for reactions with primary amine groups using activators such as EDC or HATU to form a stable amide bond.

Chemical Information

Purity 98%
IUPAC Name 3-[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]-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C41H56N2O14/c44-38(11-12-39(45)43-33-36-7-2-1-5-34(36)9-10-35-6-3-4-8-37(35)43)42(15-19-52-23-27-56-31-29-54-25-21-50-17-13-40(46)47)16-20-53-24-28-57-32-30-55-26-22-51-18-14-41(48)49/h1-8H,11-33H2,(H,46,47)(H,48,49)
InChI Key NKDFKIRFDIPDQC-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF

Product Specification

Storage -20 °C

Computed Properties

XLogP3 0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 33
Exact Mass 800.37315446 g/mol
Monoisotopic Mass 800.37315446 g/mol
Topological Polar Surface Area 189Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1170
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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