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N-(m-PEG4)-N'-(PEG3-Mal)-Cy5
| Catalog Number | A17-0142 |
| Category | Cyanine5 |
| Molecular Formula | C₄₉H₆₇ClN₄O₁₀ |
| Molecular Weight | 907.53 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 is a polyethylene glycol (PEG)-based PROTAC linker. N-(m-PEG4)-N'-(PEG3-Mal)-Cy5 can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C.[Cl-] |
| InChI | InChI=1S/C49H66N4O10.ClH/c1-48(2)39-13-9-11-15-41(39)51(24-27-59-32-35-62-34-31-58-26-22-50-45(54)21-23-53-46(55)19-20-47(53)56)43(48)17-7-6-8-18-44-49(3,4)40-14-10-12-16-42(40)52(44)25-28-60-33-36-63-38-37-61-30-29-57-5;/h6-20H,21-38H2,1-5H3;1H |
| InChIKey | KQINBUJCBKWMHU-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DMF, DCM |
| Excitation | 649 |
| Emission | 667 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 30 |
| Exact Mass | 906.4545720 g/mol |
| Monoisotopic Mass | 906.4545720 g/mol |
| Topological Polar Surface Area | 137Ų |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 1590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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