N-(Azido-PEG2)-N-Boc-PEG3-NHS ester

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N-(Azido-PEG2)-N-Boc-PEG3-NHS ester

N-(Azido-PEG2)-N-Boc-PEG3-NHS ester | 2093153-85-4

Catalog Number R14-0088
Category Azides
Molecular Formula C₂₄H₄₁N₅O₁₁
Molecular Weight 575.61
Catalog Number Size Price Quantity
R14-0088 -- $--

Product Introduction

N-(Azido-PEG2)-N-Boc-PEG3-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG2)-N-Boc-PEG3-NHS ester can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms N-(AZIDO-PEG2)-N-BOC-PEG3-NHSESTER; 2,5-dioxopyrrolidin-1-yl 1-azido-9-(tert-butoxycarbonyl)-3,6,12,15,18-pentaoxa-9-azahenicosan-21-oate; 2,5-dioxopyrrolidin-1-yl 3-(2-{2-[2-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)ethoxy]ethoxy}ethoxy)propanoate
Purity 98%
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI InChI=1S/C24H41N5O11/c1-24(2,3)39-23(33)28(8-12-36-16-15-35-11-7-26-27-25)9-13-37-17-19-38-18-14-34-10-6-22(32)40-29-20(30)4-5-21(29)31/h4-19H2,1-3H3
InChI Key LICLIIAXFJFOMD-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 25
Exact Mass 575.28025714 g/mol
Monoisotopic Mass 575.28025714 g/mol
Topological Polar Surface Area 154Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 815
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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