DBCO-PEG4-NHS ester

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DBCO-PEG4-NHS ester

DBCO-PEG4-NHS ester | 1427004-19-0

Catelog Number R01-0430
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C34H39N3O10
Molecular Weight 649.69
Catalog Number Size Price Quantity
R01-0430 100 mg $838

Product Introduction

DBCO-PEG4-NHS ester is PEG derivative used as a cross-linker to react with primary amines.

Chemical Information

Synonyms Azadibenzocyclooctyne-PEG4-NHS ester
Purity >95%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 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]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C34H39N3O10/c38-30(11-12-31(39)36-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)36)35-16-18-44-20-22-46-24-23-45-21-19-43-17-15-34(42)47-37-32(40)13-14-33(37)41/h1-8H,11-25H2,(H,35,38)
InChI Key RRCXYKNJTKJNTD-UHFFFAOYSA-N
Solubility In DMSO: 83.33 mg/mL (128.26 mM; Need ultrasonic)
Density 1.3±0.1 g/cm3
Appearance Transparent Liquid

Product Specification

Storage 4°C, stored under nitrogen; In solvent, -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Computed Properties

XLogP3 0.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 20
Exact Mass 649.26354445 g/mol
Monoisotopic Mass 649.26354445 g/mol
Topological Polar Surface Area 150Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1120
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

Patents

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