DBCO-PEG12-amine TFA salt

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DBCO-PEG12-amine TFA salt

DBCO-PEG12-amine TFA salt

Catelog Number R01-0401
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C45H69N3O14
Molecular Weight 876.1
Catalog Number Size Price Quantity
R01-0401 -- $--

Chemical Information

Synonyms DBCO-PEG12-amine
IUPAC Name N-[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]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)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI InChI=1S/C45H69N3O14/c46-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-35-61-37-38-62-36-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-47-44(49)11-12-45(50)48-39-42-7-2-1-5-40(42)9-10-41-6-3-4-8-43(41)48/h1-8H,11-39,46H2,(H,47,49)
InChI Key SLYZCZRDLYGVGG-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 -0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 41
Exact Mass 875.47795388 g/mol
Monoisotopic Mass 875.47795388 g/mol
Topological Polar Surface Area 186Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1160
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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