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DBCO-PEG24-DBCO
| Catalog Number | R01-0370 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C88H130N4O28 |
| Molecular Weight | 1692.0 |
* 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-[2-[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]ethoxy]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)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C88H130N4O28/c93-85(89-25-21-87(95)91-75-81-13-3-1-9-77(81)17-19-79-11-5-7-15-83(79)91)23-27-97-29-31-99-33-35-101-37-39-103-41-43-105-45-47-107-49-51-109-53-55-111-57-59-113-61-63-115-65-67-117-69-71-119-73-74-120-72-70-118-68-66-116-64-62-114-60-58-112-56-54-110-52-50-108-48-46-106-44-42-104-40-38-102-36-34-100-32-30-98-28-24-86(94)90-26-22-88(96)92-76-82-14-4-2-10-78(82)18-20-80-12-6-8-16-84(80)92/h1-16H,21-76H2,(H,89,93)(H,90,94) |
| InChIKey | KUNGWBSWTALDTP-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 28 |
| Rotatable Bond Count | 81 |
| Exact Mass | 1690.88715950 g/mol |
| Monoisotopic Mass | 1690.88715950 g/mol |
| Topological Polar Surface Area | 320Ų |
| Heavy Atom Count | 120 |
| Formal Charge | 0 |
| Complexity | 2450 |
| 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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