Bis-DBCO-PEG4

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Bis-DBCO-PEG4

Bis-DBCO-PEG4

Catalog Number R01-0369
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C48H50N4O8
Molecular Weight 811.0
Catalog Number Size Price Quantity
R01-0369 -- $--

Chemical Information

Purity 94%
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-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C48H50N4O8/c53-45(21-23-47(55)51-35-41-13-3-1-9-37(41)17-19-39-11-5-7-15-43(39)51)49-25-27-57-29-31-59-33-34-60-32-30-58-28-26-50-46(54)22-24-48(56)52-36-42-14-4-2-10-38(42)18-20-40-12-6-8-16-44(40)52/h1-16H,21-36H2,(H,49,53)(H,50,54)
InChI Key BZGLRSPETVGNDI-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 3.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 21
Exact Mass 810.36286457 g/mol
Monoisotopic Mass 810.36286457 g/mol
Topological Polar Surface Area 136Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1420
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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