DBCO-PEG24-DBCO

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DBCO-PEG24-DBCO

DBCO-PEG24-DBCO

Catalog Number R01-0370
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C88H130N4O28
Molecular Weight 1692.0
Catalog Number Size Price Quantity
R01-0370 -- $--

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-[2-[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]ethoxy]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)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C88H130N4O28/c93-85(89-25-21-87(95)91-75-81-13-3-1-9-77(81)17-19-79-11-5-7-15-83(79)91)23-27-97-29-31-99-33-35-101-37-39-103-41-43-105-45-47-107-49-51-109-53-55-111-57-59-113-61-63-115-65-67-117-69-71-119-73-74-120-72-70-118-68-66-116-64-62-114-60-58-112-56-54-110-52-50-108-48-46-106-44-42-104-40-38-102-36-34-100-32-30-98-28-24-86(94)90-26-22-88(96)92-76-82-14-4-2-10-78(82)18-20-80-12-6-8-16-84(80)92/h1-16H,21-76H2,(H,89,93)(H,90,94)
InChI Key KUNGWBSWTALDTP-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 28
Rotatable Bond Count 81
Exact Mass 1690.88715950 g/mol
Monoisotopic Mass 1690.88715950 g/mol
Topological Polar Surface Area 320Ų
Heavy Atom Count 120
Formal Charge 0
Complexity 2450
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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