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DBCO-PEG8-DBCO
| Catalog Number | R01-0375 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C56H66N4O12 |
| Molecular Weight | 987.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| IUPAC Name | N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[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]propanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C56H66N4O12/c61-53(57-25-21-55(63)59-43-49-13-3-1-9-45(49)17-19-47-11-5-7-15-51(47)59)23-27-65-29-31-67-33-35-69-37-39-71-41-42-72-40-38-70-36-34-68-32-30-66-28-24-54(62)58-26-22-56(64)60-44-50-14-4-2-10-46(50)18-20-48-12-6-8-16-52(48)60/h1-16H,21-44H2,(H,57,61)(H,58,62) |
| InChIKey | WORGGWSVRRPHFH-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 33 |
| Exact Mass | 986.46772355 g/mol |
| Monoisotopic Mass | 986.46772355 g/mol |
| Topological Polar Surface Area | 173Ų |
| Heavy Atom Count | 72 |
| Formal Charge | 0 |
| Complexity | 1620 |
| 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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