N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester)

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N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester)

N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester) | 2093152-79-3

Catelog Number R14-0055
Category Azides
Molecular Formula C₄₀H₇₈N₄O₁₆
Molecular Weight 871.06
Catalog Number Size Price Quantity
R14-0055 -- $--

Product Introduction

N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG4)-N-bis(PEG4-t-butyl ester) can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms N-(AZIDO-PEG4)-N-BIS(PEG4-T-BUTYLESTER); 1,31-di-tert-butyl 16-(14-azido-3,6,9,12-tetraoxatetradecan-1-yl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate; di-tert-butyl 16-(14-azido-3,6,9,12-tetraoxatetradecyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate
Purity 98%
IUPAC Name tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C40H78N4O16/c1-39(2,3)59-37(45)7-13-47-19-25-53-31-34-56-28-22-50-16-10-44(12-18-52-24-30-58-36-33-55-27-21-49-15-9-42-43-41)11-17-51-23-29-57-35-32-54-26-20-48-14-8-38(46)60-40(4,5)6/h7-36H2,1-6H3
InChI Key SGDLRHGVQBJFAO-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF

Product Specification

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

Computed Properties

XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 49
Exact Mass 870.54128241 g/mol
Monoisotopic Mass 870.54128241 g/mol
Topological Polar Surface Area 181Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 973
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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