Methyltetrazine-PEG8-NH-Boc

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Methyltetrazine-PEG8-NH-Boc

Methyltetrazine-PEG8-NH-Boc

Catalog Number R08-0026
Category Tetrazines
Molecular Formula C30H49N5O10
Molecular Weight 639.8
Catalog Number Size Price Quantity
R08-0026 -- $--

Product Introduction

Methyltetrazine-PEG8-NH-Boc is a click chemistry crosslinker containing methyltetrazine and a Boc protecting group. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene). The hydrophilic PEG spacer arm improves water solubility and is transferrable to the labeled molecule, reducing aggregation of labeled proteins stored in solution. The Boc protecting group can be removed under acidic conditions.

Chemical Information

Purity 98%
IUPAC Name tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI InChI=1S/C30H49N5O10/c1-25-32-34-28(35-33-25)26-5-7-27(8-6-26)44-24-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-10-9-31-29(36)45-30(2,3)4/h5-8H,9-24H2,1-4H3,(H,31,36)
InChI Key SQMLBQLVYAJKQD-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 28
Exact Mass 639.34794278 g/mol
Monoisotopic Mass 639.34794278 g/mol
Topological Polar Surface Area 164Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 705
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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