TCO-PEG12-acid

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TCO-PEG12-acid

TCO-PEG12-acid

Catelog Number R15-0030
Category TCO
Molecular Formula C₃₆H₆₇NO₁₆
Molecular Weight 769.91
Catalog Number Size Price Quantity
R15-0030 -- $--

Product Introduction

TCO-PEG12-acid is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG12-acid can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 95%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI InChI=1S/C36H67NO16/c38-35(39)8-10-41-12-14-43-16-18-45-20-22-47-24-26-49-28-30-51-32-33-52-31-29-50-27-25-48-23-21-46-19-17-44-15-13-42-11-9-37-36(40)53-34-6-4-2-1-3-5-7-34/h1-2,34H,3-33H2,(H,37,40)(H,38,39)/b2-1-
InChI Key FVJWPXWJNGHBBI-UPHRSURJSA-N
Solubility Water, DMSO, DCM, DMF

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 41
Exact Mass 769.44598505 g/mol
Monoisotopic Mass 769.44598505 g/mol
Topological Polar Surface Area 186Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 824
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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