DBCO-PEG5-NHS ester

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DBCO-PEG5-NHS ester

DBCO-PEG5-NHS ester | 2144395-59-3

Catalog Number R01-0429
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C36H43N3O11
Molecular Weight 693.74
Catalog Number Size Price Quantity
R01-0429 -- $--

Product Introduction

DBCO-PEG4-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms 4,7,10,13,16-Pentaoxa-19-azatricosanoic acid, 23-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-20,23-dioxo-, 2,5-dioxo-1-pyrrolidinyl ester
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[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]propanoate
Canonical SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C36H43N3O11/c40-32(11-12-33(41)38-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)38)37-16-18-46-20-22-48-24-26-49-25-23-47-21-19-45-17-15-36(44)50-39-34(42)13-14-35(39)43/h1-8H,11-27H2,(H,37,40)
InChI Key OYNJSALGAVUYGZ-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -5°C,keep in dry and avoid sunlight.

Computed Properties

XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 23
Exact Mass 693.28975920 g/mol
Monoisotopic Mass 693.28975920 g/mol
Topological Polar Surface Area 159Ų
Heavy Atom Count 50
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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