DBCO-PEG8-DBCO

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DBCO-PEG8-DBCO

DBCO-PEG8-DBCO

Catalog Number R01-0375
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C56H66N4O12
Molecular Weight 987.2
Catalog Number Size Price Quantity
R01-0375 -- $--

Chemical Information

IUPAC Name N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C56H66N4O12/c61-53(57-25-21-55(63)59-43-49-13-3-1-9-45(49)17-19-47-11-5-7-15-51(47)59)23-27-65-29-31-67-33-35-69-37-39-71-41-42-72-40-38-70-36-34-68-32-30-66-28-24-54(62)58-26-22-56(64)60-44-50-14-4-2-10-46(50)18-20-48-12-6-8-16-52(48)60/h1-16H,21-44H2,(H,57,61)(H,58,62)
InChI Key WORGGWSVRRPHFH-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 33
Exact Mass 986.46772355 g/mol
Monoisotopic Mass 986.46772355 g/mol
Topological Polar Surface Area 173Ų
Heavy Atom Count 72
Formal Charge 0
Complexity 1620
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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