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Propargyl-PEG8-NHS ester

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Propargyl-PEG8-NHS ester

Propargyl-PEG8-NHS ester | 2182601-74-5

Catalog Number R01-0224
Category Alkynes
Molecular Formula C24H39NO12
Molecular Weight 533.57
Catalog Number Size Price Quantity

Product Introduction

Propargyl-PEG8-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

Chemical Information

Synonyms Propargyl-PEG7-CH2CH2COONHS
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-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C#CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI InChI=1S/C24H39NO12/c1-2-6-29-8-10-31-12-14-33-16-18-35-20-21-36-19-17-34-15-13-32-11-9-30-7-5-24(28)37-25-22(26)3-4-23(25)27/h1H,3-21H2
InChI Key PFFLYBWAOVXONG-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 -1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 27
Exact Mass 533.24722568 g/mol
Monoisotopic Mass 533.24722568 g/mol
Topological Polar Surface Area 138Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 649
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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