DBCO-PEG24-amine TFA salt

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DBCO-PEG24-amine TFA salt

DBCO-PEG24-amine TFA salt

Catalog Number R01-0399
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C69H117N3O26
Molecular Weight 1404.7
Catalog Number Size Price Quantity
R01-0399 -- $--

Chemical Information

IUPAC Name N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI InChI=1S/C69H117N3O26/c70-13-15-75-17-19-77-21-23-79-25-27-81-29-31-83-33-35-85-37-39-87-41-43-89-45-47-91-49-51-93-53-55-95-57-59-97-61-62-98-60-58-96-56-54-94-52-50-92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-28-26-80-24-22-78-20-18-76-16-14-71-68(73)11-12-69(74)72-63-66-7-2-1-5-64(66)9-10-65-6-3-4-8-67(65)72/h1-8H,11-63,70H2,(H,71,73)
InChI Key AOJAUZUETADAAN-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -2.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 27
Rotatable Bond Count 77
Exact Mass 1403.79253085 g/mol
Monoisotopic Mass 1403.79253085 g/mol
Topological Polar Surface Area 297Ų
Heavy Atom Count 98
Formal Charge 0
Complexity 1770
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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