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TCO-PEG6-TCO
| Catalog Number | R15-0008 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C32H56N2O10 |
| Molecular Weight | 628.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 98 % |
| IUPAC Name | [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)OC2CCCC=CCC2 |
| InChI | InChI=1S/C32H56N2O10/c35-31(43-29-11-7-3-1-4-8-12-29)33-15-17-37-19-21-39-23-25-41-27-28-42-26-24-40-22-20-38-18-16-34-32(36)44-30-13-9-5-2-6-10-14-30/h1-3,5,29-30H,4,6-28H2,(H,33,35)(H,34,36)/b3-1+,5-2+ |
| InChIKey | VMAOHJRFCRXYHB-MGBLWKCQSA-N |
| Storage | -20 °C |
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 25 |
| Exact Mass | 628.39349599 g/mol |
| Monoisotopic Mass | 628.39349599 g/mol |
| Topological Polar Surface Area | 132Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 705 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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