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DBCO-PEG6-DBCO
| Catalog Number | R01-0376 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C52H58N4O10 |
| Molecular Weight | 899.1 |
* 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-[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]propanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C52H58N4O10/c57-49(53-25-21-51(59)55-39-45-13-3-1-9-41(45)17-19-43-11-5-7-15-47(43)55)23-27-61-29-31-63-33-35-65-37-38-66-36-34-64-32-30-62-28-24-50(58)54-26-22-52(60)56-40-46-14-4-2-10-42(46)18-20-44-12-6-8-16-48(44)56/h1-16H,21-40H2,(H,53,57)(H,54,58) |
| InChIKey | ZUUWARFXSSTKLT-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 27 |
| Exact Mass | 898.41529406 g/mol |
| Monoisotopic Mass | 898.41529406 g/mol |
| Topological Polar Surface Area | 154Ų |
| Heavy Atom Count | 66 |
| Formal Charge | 0 |
| Complexity | 1520 |
| 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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