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Cyanine5.5 carboxylic acid | CAS 1144107-80-1
| Catalog Number | F02-0012 |
| Category | Cyanine5.5 |
| Molecular Formula | C40H43ClN2O2 |
| Molecular Weight | 619.23 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cyanine5.5 dye, free acid form, unactivated. The dye can be considered non-reactive for most applications. It can be used as a control or reference sample, and for instrument calibration. Pre-activated NHS ester for the labeling of amine groups is also available.
Chemical Information
Product Specification
Computed Properties
| Related CAS | 1449612-07-0 (inner salt) 1449661-34-0 (without anion) |
| Synonyms | Cyanine5.5 dye; Cy5.5-cooh |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanoic acid;chloride |
| Canonical SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)O)C=CC6=CC=CC=C65)(C)C)C.[Cl-] |
| InChI | InChI=1S/C40H42N2O2.ClH/c1-39(2)34(41(5)32-25-23-28-16-11-13-18-30(28)37(32)39)20-8-6-9-21-35-40(3,4)38-31-19-14-12-17-29(31)24-26-33(38)42(35)27-15-7-10-22-36(43)44;/h6,8-9,11-14,16-21,23-26H,7,10,15,22,27H2,1-5H3;1H |
| InChIKey | UFNAFNWOXFAMSM-UHFFFAOYSA-N |
| Solubility | soluble in organic solvents (DMSO, DMF, dichloromethane), practically insoluble in water (< 1 uM, < 1 mg/L) |
| Appearance | dark blue powder |
| ε, L⋅mol-1⋅cm-1 | 198000 |
| Fluorescence Quantum Yield | 0.2 |
| Excitation | 684 |
| Emission | 710 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 618.3013063 g/mol |
| Monoisotopic Mass | 618.3013063 g/mol |
| Topological Polar Surface Area | 43.6Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1170 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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