N-(Azido-PEG3)-N-Boc-PEG3-t-butyl ester

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N-(Azido-PEG3)-N-Boc-PEG3-t-butyl ester

N-(Azido-PEG3)-N-Boc-PEG3-t-butyl ester | 2112732-03-1

Catelog Number R14-0082
Category Azides
Molecular Formula C₂₆H₅₀N₄O₁₀
Molecular Weight 578.70
Catalog Number Size Price Quantity
R14-0082 -- $--

Product Introduction

N-(Azido-PEG3)-N-Boc-PEG3-t-butyl ester is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-Boc-PEG3-t-butyl ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms tert-butyl 3-(2-{2-[2-(16-azido-2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-5-yl)ethoxy]ethoxy}ethoxy)propanoate
Purity 98%
IUPAC Name tert-butyl 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C
InChI InChI=1S/C26H50N4O10/c1-25(2,3)39-23(31)7-11-33-15-19-37-21-17-35-13-9-30(24(32)40-26(4,5)6)10-14-36-18-22-38-20-16-34-12-8-28-29-27/h7-22H2,1-6H3
InChI Key IZIWQDDVTKZAPK-UHFFFAOYSA-N

Product Specification

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

Computed Properties

XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 28
Exact Mass 578.35269380 g/mol
Monoisotopic Mass 578.35269380 g/mol
Topological Polar Surface Area 126Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 707
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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