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sulfo-Cyanine3.5 NHS ester
| Catalog Number | R01-0030 |
| Category | NHS Esters |
| Molecular Formula | C42H40N3K3O16S4 |
| Molecular Weight | 1088.33 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cyanine3.5 is a fluorescent dye with absorption and emission intermediate between Cyanine3 and Cyanine5. Sulfonated version contains four sulfo groups which ensure high solubility and hydrophilicity of the fluorophore and labeled conjugates. The NHS ester reactive group allows to label primary and secondary amine groups.
Chemical Information
Product Specification
Computed Properties
| Related CAS | 2231670-91-8 (without cation) |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | tripotassium;3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-2-[3-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indole-6,8-disulfonate |
| Canonical SMILES | CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC7=C5C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)C.[K+].[K+].[K+] |
| InChI | InChI=1S/C42H43N3O16S4.3K/c1-41(2)34(43(5)30-15-13-26-28(39(30)41)20-24(62(49,50)51)22-32(26)64(55,56)57)10-9-11-35-42(3,4)40-29-21-25(63(52,53)54)23-33(65(58,59)60)27(29)14-16-31(40)44(35)19-8-6-7-12-38(48)61-45-36(46)17-18-37(45)47;;;/h9-11,13-16,20-23H,6-8,12,17-19H2,1-5H3,(H3-,49,50,51,52,53,54,55,56,57,58,59,60);;;/q;3*+1/p-3 |
| InChIKey | ZIHCBFPLFPPRAR-UHFFFAOYSA-K |
| Solubility | good in water, DMF, DMSO |
| Appearance | deep purple powder |
| ε, L⋅mol-1⋅cm-1 | 139000 |
| Fluorescence Quantum Yield | 0.11 |
| Excitation | 576 |
| Emission | 603 |
| Storage | 12 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 | 0 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 13 |
| Exact Mass | 1087.0202613 g/mol |
| Monoisotopic Mass | 1087.0202613 g/mol |
| Topological Polar Surface Area | 332Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 2470 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |
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