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Cy5-PEG6-acid
| Catalog Number | A17-0176 |
| Category | Cyanine5 |
| Molecular Formula | C₄₇H₆₈ClN₃O₉ |
| Molecular Weight | 854.51 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cy5-PEG6-acid is a polyethylene glycol (PEG)-based PROTAC linker. Cy5-PEG6-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 96% |
| IUPAC Name | 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]propanoic acid;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O)(C)C)C)C.[Cl-] |
| InChI | InChI=1S/C47H67N3O9.ClH/c1-46(2)38-16-11-13-18-40(38)49(5)42(46)20-8-6-9-21-43-47(3,4)39-17-12-14-19-41(39)50(43)25-15-7-10-22-44(51)48-24-27-55-29-31-57-33-35-59-37-36-58-34-32-56-30-28-54-26-23-45(52)53;/h6,8-9,11-14,16-21H,7,10,15,22-37H2,1-5H3,(H-,48,51,52,53);1H |
| InChIKey | RKXHCQAKWSZSPM-UHFFFAOYSA-N |
| Solubility | Water, 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 | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 30 |
| Exact Mass | 853.4644084 g/mol |
| Monoisotopic Mass | 853.4644084 g/mol |
| Topological Polar Surface Area | 128Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1380 |
| 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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