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DBCO-PEG12-DBCO

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DBCO-PEG12-DBCO

DBCO-PEG12-DBCO

Catalog Number R01-0372
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C64H82N4O16
Molecular Weight 1163.4
Catalog Number Size Price Quantity
R01-0372 -- $--

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-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C64H82N4O16/c69-61(65-25-21-63(71)67-51-57-13-3-1-9-53(57)17-19-55-11-5-7-15-59(55)67)23-27-73-29-31-75-33-35-77-37-39-79-41-43-81-45-47-83-49-50-84-48-46-82-44-42-80-40-38-78-36-34-76-32-30-74-28-24-62(70)66-26-22-64(72)68-52-58-14-4-2-10-54(58)18-20-56-12-6-8-16-60(56)68/h1-16H,21-52H2,(H,65,69)(H,66,70)
InChI Key BUKUUTNVQIUHKV-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 45
Exact Mass 1162.57258254 g/mol
Monoisotopic Mass 1162.57258254 g/mol
Topological Polar Surface Area 210Ų
Heavy Atom Count 84
Formal Charge 0
Complexity 1820
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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