TCO-PEG8-DBCO

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TCO-PEG8-DBCO

TCO-PEG8-DBCO

Catalog Number R15-0015
Category TCO
Molecular Formula C46H65N3O12
Molecular Weight 852.0
Catalog Number Size Price Quantity
R15-0015 -- $--

Chemical Information

IUPAC Name [(4E)-cyclooct-4-en-1-yl] N-[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]ethyl]carbamate
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI InChI=1S/C46H65N3O12/c50-44(47-20-18-45(51)49-38-41-12-7-6-10-39(41)16-17-40-11-8-9-15-43(40)49)19-22-53-24-26-55-28-30-57-32-34-59-36-37-60-35-33-58-31-29-56-27-25-54-23-21-48-46(52)61-42-13-4-2-1-3-5-14-42/h1-2,6-12,15,42H,3-5,13-14,18-38H2,(H,47,50)(H,48,52)/b2-1+
InChI Key CSYNXLAJSWOHQE-OWOJBTEDSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 32
Exact Mass 851.45682452 g/mol
Monoisotopic Mass 851.45682452 g/mol
Topological Polar Surface Area 162Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1290
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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