N-(Azido-PEG3)-N-bis(PEG4-acid) | CAS 2112731-54-9

Name: N-(Azido-PEG3)-N-bis(PEG4-acid)
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R14-0069
Category	Azides
Molecular Formula	C₃₀H₅₈N₄O₁₅
Molecular Weight	714.80

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Product Introduction

N-(Azido-PEG3)-N-bis(PEG4-acid) is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG3)-N-bis(PEG4-acid) can be used in the synthesis of a series of PROTACs.

Chemical Information
Product Specification
Computed Properties

Synonyms	16-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl)-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioic acid
Purity	98%
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	C(COCCOCCOCCOCCN(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI	InChI=1S/C30H58N4O15/c31-33-32-3-9-41-15-21-47-22-16-42-10-4-34(5-11-43-17-23-48-27-25-45-19-13-39-7-1-29(35)36)6-12-44-18-24-49-28-26-46-20-14-40-8-2-30(37)38/h1-28H2,(H,35,36)(H,37,38)
InChIKey	FXPSMOCUUZDFRW-UHFFFAOYSA-N

Storage

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

XLogP3	-3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	42
Exact Mass	714.38986716 g/mol
Monoisotopic Mass	714.38986716 g/mol
Topological Polar Surface Area	194Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	740
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