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TCO-PEG6-DBCO
| Catalog Number | R01-0339 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C42H57N3O10 |
| Molecular Weight | 763.9 |
* 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-[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]ethyl]carbamate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C42H57N3O10/c46-40(43-20-18-41(47)45-34-37-12-7-6-10-35(37)16-17-36-11-8-9-15-39(36)45)19-22-49-24-26-51-28-30-53-32-33-54-31-29-52-27-25-50-23-21-44-42(48)55-38-13-4-2-1-3-5-14-38/h1-2,6-12,15,38H,3-5,13-14,18-34H2,(H,43,46)(H,44,48)/b2-1+ |
| InChIKey | INOZHMHXBILIOY-OWOJBTEDSA-N |
| Storage | -20 °C |
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 26 |
| Exact Mass | 763.40439502 g/mol |
| Monoisotopic Mass | 763.40439502 g/mol |
| Topological Polar Surface Area | 143Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1190 |
| 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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