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sulfo-Cyanine7 dicarboxylic acid
| Catalog Number | F03-0016 |
| Category | sulfo-Cyanine7 |
| Molecular Formula | C42H51N2KO10S2 |
| Molecular Weight | 847.09 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo-Cyanine7 dicarboxylic acid (Сy7 analogue) is a water soluble, bifunctional NIR dye derivative bearing two carboxylic acid functional groups.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | potassium;(2E)-1-(5-carboxypentyl)-2-[(2E)-2-[3-[(E)-2-[1-(5-carboxypentyl)-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)O)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)CCCCCC(=O)O)C.[K+] |
| InChI | InChI=1S/C42H52N2O10S2.K/c1-41(2)33-27-31(55(49,50)51)18-20-35(33)43(24-9-5-7-14-39(45)46)37(41)22-16-29-12-11-13-30(26-29)17-23-38-42(3,4)34-28-32(56(52,53)54)19-21-36(34)44(38)25-10-6-8-15-40(47)48;/h16-23,26-28H,5-15,24-25H2,1-4H3,(H3-,45,46,47,48,49,50,51,52,53,54);/q;+1/p-1 |
| InChIKey | QEBLXZAXBRSTPL-UHFFFAOYSA-M |
| Solubility | good in water, DMF, DMSO |
| Appearance | dark green solid |
| 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. |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 16 |
| Exact Mass | 846.26221966 g/mol |
| Monoisotopic Mass | 846.26221966 g/mol |
| Topological Polar Surface Area | 212Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1840 |
| 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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