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Sulfo-Cyanine7 alkyne
| Catalog Number | R02-0034 |
| Category | Alkynes |
| Molecular Formula | C40H46N3KO7S2 |
| Molecular Weight | 784.04 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R02-0034 | -- | $-- |
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Product Introduction
Sulfo-Cyanine7 alkyne is a sulfonated terminal alkyne for copper-catalyzed Click chemistry reaction, which possesses significant aqueous solubility, and can be conjugated with azides in aqueous environment.
Chemical Information |
|
|---|---|
| Related CAS | 2183440-55-1 (inner salt) |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | potassium;3,3-dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-2-[2-[3-[2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)NCC#C)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)C)C.[K+] |
| InChI | InChI=1S/C40H47N3O7S2.K/c1-7-23-41-38(44)14-9-8-10-24-43-35-20-18-31(52(48,49)50)27-33(35)40(4,5)37(43)22-16-29-13-11-12-28(25-29)15-21-36-39(2,3)32-26-30(51(45,46)47)17-19-34(32)42(36)6;/h1,15-22,25-27H,8-14,23-24H2,2-6H3,(H2-,41,44,45,46,47,48,49,50);/q;+1/p-1 |
| InChI Key | BHUOSGHGWGCWQE-UHFFFAOYSA-M |
| Solubility | good in DMF, DMSO, significant in water |
| Appearance | dark green powder |
- Product Specification
| ε, L⋅mol-1⋅cm-1 | 240600 |
| Excitation | 750 |
| Emission | 773 |
| 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. |
Computed Properties | |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 783.24142465 g/mol |
| Monoisotopic Mass | 783.24142465 g/mol |
| Topological Polar Surface Area | 167Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1790 |
| 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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