N-(Azido-PEG3)-N-Boc-PEG3-acid

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N-(Azido-PEG3)-N-Boc-PEG3-acid

N-(Azido-PEG3)-N-Boc-PEG3-acid | 2112731-52-7

Catalog Number R14-0090
Category Azides
Molecular Formula C₂₂H₄₂N₄O₁₀
Molecular Weight 522.59
Catalog Number Size Price Quantity
R14-0090 -- $--

Product Introduction

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

Chemical Information

Synonyms 3-(2-{2-[2-(16-azido-2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-5-yl)ethoxy]ethoxy}ethoxy)propanoic acid; 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Purity 95%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES CC(C)(C)OC(=O)N(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-]
InChI InChI=1S/C22H42N4O10/c1-22(2,3)36-21(29)26(6-10-32-14-18-34-16-12-30-8-4-20(27)28)7-11-33-15-19-35-17-13-31-9-5-24-25-23/h4-19H2,1-3H3,(H,27,28)
InChI Key CTQHJMLHBMSXLL-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 26
Exact Mass 522.29009355 g/mol
Monoisotopic Mass 522.29009355 g/mol
Topological Polar Surface Area 137Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 612
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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