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DBCO-PEG12-DBCO
| Catalog Number | R01-0372 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C64H82N4O16 |
| Molecular Weight | 1163.4 |
* 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-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C64H82N4O16/c69-61(65-25-21-63(71)67-51-57-13-3-1-9-53(57)17-19-55-11-5-7-15-59(55)67)23-27-73-29-31-75-33-35-77-37-39-79-41-43-81-45-47-83-49-50-84-48-46-82-44-42-80-40-38-78-36-34-76-32-30-74-28-24-62(70)66-26-22-64(72)68-52-58-14-4-2-10-54(58)18-20-56-12-6-8-16-60(56)68/h1-16H,21-52H2,(H,65,69)(H,66,70) |
| InChIKey | BUKUUTNVQIUHKV-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 45 |
| Exact Mass | 1162.57258254 g/mol |
| Monoisotopic Mass | 1162.57258254 g/mol |
| Topological Polar Surface Area | 210Ų |
| Heavy Atom Count | 84 |
| Formal Charge | 0 |
| Complexity | 1820 |
| 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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