DBCO-PEG8-amine TFA salt

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DBCO-PEG8-amine TFA salt

DBCO-PEG8-amine TFA salt

Catalog Number R01-0403
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C37H53N3O10
Molecular Weight 699.8
Catalog Number Size Price Quantity
R01-0403 -- $--

Chemical Information

IUPAC Name N-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)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)NCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI InChI=1S/C37H53N3O10/c38-13-15-43-17-19-45-21-23-47-25-27-49-29-30-50-28-26-48-24-22-46-20-18-44-16-14-39-36(41)11-12-37(42)40-31-34-7-2-1-5-32(34)9-10-33-6-3-4-8-35(33)40/h1-8H,11-31,38H2,(H,39,41)
InChI Key RNQRJPMIQPZGDT-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 -0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 29
Exact Mass 699.37309490 g/mol
Monoisotopic Mass 699.37309490 g/mol
Topological Polar Surface Area 149Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 960
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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