Methyltetrazine-PEG4-DBCO

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Methyltetrazine-PEG4-DBCO

Methyltetrazine-PEG4-DBCO

Catalog Number R01-0336
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C36H38N6O6
Molecular Weight 650.7
Catalog Number Size Price Quantity
R01-0336 -- $--

Chemical Information

IUPAC Name 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChI InChI=1S/C36H38N6O6/c1-27-38-40-36(41-39-27)30-12-14-32(15-13-30)48-25-24-47-23-22-46-21-20-45-19-18-37-34(43)16-17-35(44)42-26-31-8-3-2-6-28(31)10-11-29-7-4-5-9-33(29)42/h2-9,12-15H,16-26H2,1H3,(H,37,43)
InChI Key YWFLZTDNZPQPCP-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 17
Exact Mass 650.28528295 g/mol
Monoisotopic Mass 650.28528295 g/mol
Topological Polar Surface Area 138Ų
Heavy Atom Count 48
Formal Charge 0
Complexity 1040
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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