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Cy5-PEG6-NHS ester
| Catalog Number | A17-0167 |
| Category | Cyanine5 |
| Molecular Formula | C₅₁H₇₁ClN₄O₁₁ |
| Molecular Weight | 951.58 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cy5-PEG6-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. Cy5-PEG6-NHS ester can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-(1-((2,5-dioxopyrrolidin-1-yl)oxy)-1,23-dioxo-4,7,10,13,16,19-hexaoxa-22-azaoctacosan-28-yl)-3,3-dimethyl-2-((1E,3E)-5-((E)-1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium chloride |
| Purity | 96% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)ON5C(=O)CCC5=O)(C)C)C)C.[Cl-] |
| InChI | InChI=1S/C51H70N4O11.ClH/c1-50(2)40-16-11-13-18-42(40)53(5)44(50)20-8-6-9-21-45-51(3,4)41-17-12-14-19-43(41)54(45)27-15-7-10-22-46(56)52-26-29-61-31-33-63-35-37-65-39-38-64-36-34-62-32-30-60-28-25-49(59)66-55-47(57)23-24-48(55)58;/h6,8-9,11-14,16-21H,7,10,15,22-39H2,1-5H3;1H |
| InChIKey | LRPAXAJJSGVXEK-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Excitation | 646 |
| Emission | 662 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 32 |
| Exact Mass | 950.4807868 g/mol |
| Monoisotopic Mass | 950.4807868 g/mol |
| Topological Polar Surface Area | 154Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1660 |
| 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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