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Cyanine3.5 NHS ester | CAS 2231670-85-0
| Catalog Number | R01-0018 |
| Category | NHS Esters |
| Molecular Formula | C42H44N3O4 |
| Molecular Weight | 654.83 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Cyanine3.5 NHS ester (an analog of Cy3.5® NHS ester) is a reactive dye for the labeling of amino-groups in peptides, proteins, and oligonucleotides.Cyanine3.5 NHS ester can replace NHS esters of Cy3.5®, Alexa Fluor 594, DyLight 594.
Chemical Information
Product Specification
Computed Properties
| Synonyms | (2,5-dioxopyrrolidin-1-yl) 6-[1,1-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride; R6G alkyne |
| Purity | NMR 1H and HPLC-MS (95%) |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 6-[1,1-dimethyl-2-[3-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-3-yl]hexanoate;trifluoroborane;fluoride |
| Canonical SMILES | B(F)(F)F.CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC7=CC=CC=C75)(C)C)C.[F-] |
| InChI | InChI=1S/C42H44N3O4.BF3.FH/c1-41(2)34(43(5)32-23-21-28-14-8-10-16-30(28)39(32)41)18-13-19-35-42(3,4)40-31-17-11-9-15-29(31)22-24-33(40)44(35)27-12-6-7-20-38(48)49-45-36(46)25-26-37(45)47;2-1(3)4;/h8-11,13-19,21-24H,6-7,12,20,25-27H2,1-5H3;;1H/q+1;;/p-1 |
| InChIKey | AJQWBYBQWPADLY-UHFFFAOYSA-M |
| Solubility | soluble in organic solvents (DMF, DMSO, dichloromethane), insoluble in water |
| Appearance | dark purple solid |
| ε, L⋅mol-1⋅cm-1 | 116000 |
| Fluorescence Quantum Yield | 0.35 |
| Excitation | 591 |
| Emission | 604 |
| 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 | 9 |
| Rotatable Bond Count | 10 |
| Exact Mass | 741.3360997 g/mol |
| Monoisotopic Mass | 741.3360997 g/mol |
| Topological Polar Surface Area | 69.9Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1380 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |
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