Methyltetrazine-PEG24-DBCO

What We Offer

Methyltetrazine-PEG24-DBCO

Methyltetrazine-PEG24-DBCO

Catalog Number R01-0331
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C76H118N6O26
Molecular Weight 1531.8
Catalog Number Size Price Quantity
R01-0331 -- $--

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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53
InChI InChI=1S/C76H118N6O26/c1-67-78-80-76(81-79-67)70-12-14-72(15-13-70)108-65-64-107-63-62-106-61-60-105-59-58-104-57-56-103-55-54-102-53-52-101-51-50-100-49-48-99-47-46-98-45-44-97-43-42-96-41-40-95-39-38-94-37-36-93-35-34-92-33-32-91-31-30-90-29-28-89-27-26-88-25-24-87-23-22-86-21-20-85-19-18-77-74(83)16-17-75(84)82-66-71-8-3-2-6-68(71)10-11-69-7-4-5-9-73(69)82/h2-9,12-15H,16-66H2,1H3,(H,77,83)
InChI Key OJDQHMWSFJYHLB-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 30
Rotatable Bond Count 77
Exact Mass 1530.80957789 g/mol
Monoisotopic Mass 1530.80957789 g/mol
Topological Polar Surface Area 323Ų
Heavy Atom Count 108
Formal Charge 0
Complexity 2080
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
cartIcon
Inquiry Basket