Methyltetrazine-PEG12-Maleimide

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Methyltetrazine-PEG12-Maleimide

Methyltetrazine-PEG12-Maleimide

Catalog Number R08-0036
Category Tetrazines
Molecular Formula C44H69N7O16
Molecular Weight 952.1
Catalog Number Size Price Quantity
R08-0036 -- $--

Product Introduction

Methyltetrazine-PEG12-Maleimide is a click chemistry PEG Maleimide molecule. Maleimide group can react specifically and efficiently with thiols to form thioether bond. This reagent can be used to efficieintly incorporate a tetrazine moiety with TCO-attached compound or macromolecule.

Chemical Information

Purity 98%
IUPAC Name 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O
InChI InChI=1S/C44H69N7O16/c1-37-47-49-44(50-48-37)39-4-2-38(3-5-39)36-46-41(53)9-12-56-14-16-58-18-20-60-22-24-62-26-28-64-30-32-66-34-35-67-33-31-65-29-27-63-25-23-61-21-19-59-17-15-57-13-10-45-40(52)8-11-51-42(54)6-7-43(51)55/h2-7H,8-36H2,1H3,(H,45,52)(H,46,53)
InChI Key UBGCSXQCWCGAGX-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 20
Rotatable Bond Count 45
Exact Mass 951.48007914 g/mol
Monoisotopic Mass 951.48007914 g/mol
Topological Polar Surface Area 258Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 1280
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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