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Cy5 DBCO | CAS 2182601-72-3
| Catalog Number | R01-0320 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C50H53ClN4O2 |
| Molecular Weight | 777.5 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cy5 DBCO is a linker of the cyanine5 dye. The addition of the DBCO molecule allows for the compound to undergo copper-free Click Chemistry reactions.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Cy5 DBCO (chloride) |
| Purity | 98% |
| 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]-6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide;chloride |
| Canonical SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.[Cl-] |
| InChI | InChI=1S/C50H52N4O2.ClH/c1-49(2)40-23-14-17-26-43(40)52(5)45(49)28-8-6-9-29-46-50(3,4)41-24-15-18-27-44(41)53(46)35-19-7-10-30-47(55)51-34-33-48(56)54-36-39-22-12-11-20-37(39)31-32-38-21-13-16-25-42(38)54;/h6,8-9,11-18,20-29H,7,10,19,30,33-36H2,1-5H3;1H |
| InChIKey | HWIXBRHDYGXXEQ-UHFFFAOYSA-N |
| Storage | -20 °C |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 776.3857046 g/mol |
| Monoisotopic Mass | 776.3857046 g/mol |
| Topological Polar Surface Area | 55.7Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1600 |
| 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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