N-(Propargyl-PEG2)-N-bis(PEG3-t-butyl ester)

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N-(Propargyl-PEG2)-N-bis(PEG3-t-butyl ester)

N-(Propargyl-PEG2)-N-bis(PEG3-t-butyl ester)

Catelog Number R01-0089
Category Alkynes
Molecular Formula C33H61NO12
Molecular Weight 663.9
Catalog Number Size Price Quantity
R01-0089 -- $--

Product Introduction

N-(Propargyl-PEG2)-N-bis(PEG3-t-butyl ester) is a 3-arm PEG reagent with a propargyl groups and two t-butyl ester groups. The propargyl group can react with azides via copper catalyzed Click Chemistry reaction to yield a stable triazole linkage. The t-butyl ester groups can be deprotected under acidic conditions.

Chemical Information

Purity 98%
IUPAC Name tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCC#C
InChI InChI=1S/C33H61NO12/c1-8-14-37-20-23-40-17-11-34(12-18-41-24-28-43-26-21-38-15-9-30(35)45-32(2,3)4)13-19-42-25-29-44-27-22-39-16-10-31(36)46-33(5,6)7/h1H,9-29H2,2-7H3
InChI Key UMOGPHKYWRLHFJ-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 35
Exact Mass 663.41937638 g/mol
Monoisotopic Mass 663.41937638 g/mol
Topological Polar Surface Area 130Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 738
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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