2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane

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2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane

2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane | 2086689-05-4

Catalog Number R14-0045
Category Azides
Molecular Formula C₁₈H₃₂N₄O₁₀
Molecular Weight 464.47
Catalog Number Size Price Quantity
R14-0045 -- $--

Product Introduction

2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane is a polyethylene glycol (PEG)-based PROTAC linker. 2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms 2-Azido-PEG3-amido-13-biscarboxylethoxypropane; 3-[2-(3-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}propanamido)-3-(2-carboxyethoxy)propoxy]propanoic acid; 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-(2-carboxyethoxy)propoxy]propanoic acid; Propanoic acid, 3-[[15-azido-2-[(2-carboxyethoxy)methyl]-4-oxo-7,10,13-trioxa-3-azapentadec-1-yl]oxy]-
Purity 98%
IUPAC Name 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-(2-carboxyethoxy)propoxy]propanoic acid
Canonical SMILES C(COCCOCCOCCN=[N+]=[N-])C(=O)NC(COCCC(=O)O)COCCC(=O)O
InChI InChI=1S/C18H32N4O10/c19-22-20-4-8-29-10-12-30-11-9-28-5-1-16(23)21-15(13-31-6-2-17(24)25)14-32-7-3-18(26)27/h15H,1-14H2,(H,21,23)(H,24,25)(H,26,27)
InChI Key NIEBYMXGDWQDQN-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -1.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 23
Exact Mass 464.21184323 g/mol
Monoisotopic Mass 464.21184323 g/mol
Topological Polar Surface Area 164Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 550
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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