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Sulfo-Cyanine7 bis-NHS ester
| Catalog Number | R01-0034 |
| Category | NHS Esters |
| Molecular Formula | C50H57N4KO14S2 |
| Molecular Weight | 1041.23 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo-Cyanine7 bis-NHS ester is a water-soluble, bifunctional cross-linker that contains a core of near infrared, water soluble dye sulfo-Cyanine7, and two amine-reactive NHS ester groups.
Chemical Information
Product Specification
Computed Properties
| Synonyms | Sulfo-Cy7 bis-NHS ester |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | potassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E)-2-[3-[(E)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole-5-sulfonate |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)CCCCCC(=O)ON7C(=O)CCC7=O)C.[K+] |
| InChI | InChI=1S/C50H58N4O14S2.K/c1-49(2)37-31-35(69(61,62)63)18-20-39(37)51(28-9-5-7-14-47(59)67-53-43(55)24-25-44(53)56)41(49)22-16-33-12-11-13-34(30-33)17-23-42-50(3,4)38-32-36(70(64,65)66)19-21-40(38)52(42)29-10-6-8-15-48(60)68-54-45(57)26-27-46(54)58;/h16-23,30-32H,5-15,24-29H2,1-4H3,(H-,61,62,63,64,65,66);/q;+1/p-1 |
| InChIKey | QNQRBLILCWCNAQ-UHFFFAOYSA-M |
| Solubility | good in DMF, DMSO, water |
| Appearance | dark colored solid |
| ε, L⋅mol-1⋅cm-1 | 240600 |
| Excitation | 750 |
| Emission | 773 |
| 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 | 15 |
| Rotatable Bond Count | 20 |
| Exact Mass | 1040.29497634 g/mol |
| Monoisotopic Mass | 1040.29497634 g/mol |
| Topological Polar Surface Area | 265Ų |
| Heavy Atom Count | 71 |
| Formal Charge | 0 |
| Complexity | 2440 |
| 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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