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TCO-PEG8-DBCO
| Catalog Number | R15-0015 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C46H65N3O12 |
| Molecular Weight | 852.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| 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+ |
| InChIKey | CSYNXLAJSWOHQE-OWOJBTEDSA-N |
| Storage | -20 °C |
| 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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