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Sulfo-Bis-(N,N'-carboxylic acid)-Cy5 | CAS 2353410-10-1
| Catalog Number | F03-0034 |
| Category | sulfo-Cyanine5 |
| Molecular Formula | C37H47BrN2O10S2 |
| Molecular Weight | 823.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo-Bis-(N,N'-carboxylic acid)-Cy5 is a water soluble and free unactivated carboxylic acid. Its absorbance and emission spectra are identical with Cy5 fluorophore.
Chemical Information
Product Specification
Computed Properties
| Purity | 97% |
| IUPAC Name | 6-[(2E)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C)CCCCCC(=O)O)C |
| InChI | InChI=1S/C37H46N2O10S2/c1-36(2)28-24-26(50(44,45)46)18-20-30(28)38(22-12-6-10-16-34(40)41)32(36)14-8-5-9-15-33-37(3,4)29-25-27(51(47,48)49)19-21-31(29)39(33)23-13-7-11-17-35(42)43/h5,8-9,14-15,18-21,24-25H,6-7,10-13,16-17,22-23H2,1-4H3,(H3-,40,41,42,43,44,45,46,47,48,49)/p+1 |
| InChIKey | KCJWQEQRJODNIT-UHFFFAOYSA-O |
| Storage | -20 °C |
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 17 |
| Exact Mass | 743.26721305 g/mol |
| Monoisotopic Mass | 743.26721305 g/mol |
| Topological Polar Surface Area | 206Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 1 |
| Complexity | 1500 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
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