Methyltetrazine-PEG2-DBCO

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Methyltetrazine-PEG2-DBCO

Methyltetrazine-PEG2-DBCO

Catalog Number R01-0337
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C32H30N6O4
Molecular Weight 562.6
Catalog Number Size Price Quantity
R01-0337 -- $--

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-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChI InChI=1S/C32H30N6O4/c1-23-34-36-32(37-35-23)26-12-14-28(15-13-26)42-21-20-41-19-18-33-30(39)16-17-31(40)38-22-27-8-3-2-6-24(27)10-11-25-7-4-5-9-29(25)38/h2-9,12-15H,16-22H2,1H3,(H,33,39)
InChI Key LJLWQUVWXUTVLI-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 11
Exact Mass 562.23285346 g/mol
Monoisotopic Mass 562.23285346 g/mol
Topological Polar Surface Area 119Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 936
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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