DBCO-PEG6-DBCO

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DBCO-PEG6-DBCO

DBCO-PEG6-DBCO

Catalog Number R01-0376
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C52H58N4O10
Molecular Weight 899.1
Catalog Number Size Price Quantity
R01-0376 -- $--

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-[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]propanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C52H58N4O10/c57-49(53-25-21-51(59)55-39-45-13-3-1-9-41(45)17-19-43-11-5-7-15-47(43)55)23-27-61-29-31-63-33-35-65-37-38-66-36-34-64-32-30-62-28-24-50(58)54-26-22-52(60)56-40-46-14-4-2-10-42(46)18-20-44-12-6-8-16-48(44)56/h1-16H,21-40H2,(H,53,57)(H,54,58)
InChI Key ZUUWARFXSSTKLT-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 27
Exact Mass 898.41529406 g/mol
Monoisotopic Mass 898.41529406 g/mol
Topological Polar Surface Area 154Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1520
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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