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Sulfo-Cyanine7.5 alkyne
| Catalog Number | R02-0035 |
| Category | Alkynes |
| Molecular Formula | C48H48N3K3O13S4 |
| Molecular Weight | 1120.46 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R02-0035 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo-Cyanine7.5 is a near infrared, sulfonated cyanine dye with rigidized trimethylene chain. The fluorophore is structurally very similar to indocyanine green (ICG) dye that has been approved for human use. However, the dye has an improved quantum yield because of its rigidized structure. This is an alkyne derivative for copper catalyzed Click chemistry.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | tripotassium;1,1-dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]-2-[2-[3-[2-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]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=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)NCC#C)C=CC7=C6C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCC4)C.[K+].[K+].[K+] |
| InChI | InChI=1S/C48H51N3O13S4.3K/c1-7-23-49-44(52)14-9-8-10-24-51-39-20-18-35-37(27-33(66(56,57)58)29-41(35)68(62,63)64)46(39)48(4,5)43(51)22-16-31-13-11-12-30(25-31)15-21-42-47(2,3)45-36-26-32(65(53,54)55)28-40(67(59,60)61)34(36)17-19-38(45)50(42)6;;;/h1,15-22,25-29H,8-14,23-24H2,2-6H3,(H4-,49,52,53,54,55,56,57,58,59,60,61,62,63,64);;;/q;3*+1/p-3 |
| InChIKey | CSMVGXVYMGBYSA-UHFFFAOYSA-K |
| Solubility | good in water, DMSO, DMF |
| Appearance | dark colored solid |
| ε, L⋅mol-1⋅cm-1 | 222000 |
| Excitation | 778 |
| Emission | 797 |
| 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 | 14 |
| Rotatable Bond Count | 13 |
| Exact Mass | 1119.0981177 g/mol |
| Monoisotopic Mass | 1119.0981177 g/mol |
| Topological Polar Surface Area | 298Ų |
| Heavy Atom Count | 71 |
| Formal Charge | 0 |
| Complexity | 2640 |
| 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 | 4 |
| Compound Is Canonicalized | Yes |
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