TCO-PEG6-NHS ester

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TCO-PEG6-NHS ester

TCO-PEG6-NHS ester | 2353409-96-6

Catalog Number R15-0044
Category TCO
Molecular Formula C₂₈H₄₆N₂O₁₂
Molecular Weight 602.67
Catalog Number Size Price Quantity
R15-0044 -- $--

Product Introduction

TCO-PEG6-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG6-NHS ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 2,5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20-hexaoxa-2-azatricosan-23-oate; 2,5-dioxopyrrolidin-1-yl 1-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18-hexaoxahenicosan-21-oate
Purity 95%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI InChI=1S/C28H46N2O12/c31-25-8-9-26(32)30(25)42-27(33)10-12-35-14-16-37-18-20-39-22-23-40-21-19-38-17-15-36-13-11-29-28(34)41-24-6-4-2-1-3-5-7-24/h1-2,24H,3-23H2,(H,29,34)/b2-1-
InChI Key ADJYXGBSZXWRNW-UPHRSURJSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 25
Exact Mass 602.30507491 g/mol
Monoisotopic Mass 602.30507491 g/mol
Topological Polar Surface Area 157Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 794
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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