Propargyl-PEG6-NHS ester

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Propargyl-PEG6-NHS ester

Propargyl-PEG6-NHS ester | 2093153-99-0

Catalog Number R01-0226
Category Alkynes
Molecular Formula C20H31NO10
Molecular Weight 445.46
Catalog Number Size Price Quantity
R01-0226 -- $--

Product Introduction

Propargyl-PEG6-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms 2,5-Dioxopyrrolidin-1-yl 4,7,10,13,16,19-hexaoxadocos-21-yn-1-oate
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-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C#CCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI InChI=1S/C20H31NO10/c1-2-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-20(24)31-21-18(22)3-4-19(21)23/h1H,3-17H2
InChI Key WVFFBCAEFRYUEY-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Solid
  • Product Specification
Storage Store at -20 °C, keep in dry and avoid sunlight.

Computed Properties

XLogP3 -1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 21
Exact Mass 445.19479619 g/mol
Monoisotopic Mass 445.19479619 g/mol
Topological Polar Surface Area 119Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 558
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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