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diSulfo-Cy7-bis NHS ester
| Catalog Number | F03-0037 |
| Category | sulfo-Cyanine7 |
| Molecular Formula | C47H53KN4O14S2 |
| Molecular Weight | 1001.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
diSulfo-Cy7-bis NHS ester, an improved analog of Cy7
Chemical Information
Product Specification
Computed Properties
| Purity | 97% |
| IUPAC Name | potassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E,6E)-7-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindole-5-sulfonate |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)C.[K+] |
| InChI | InChI=1S/C47H54N4O14S2.K/c1-46(2)34-30-32(66(58,59)60)20-22-36(34)48(28-14-8-12-18-44(56)64-50-40(52)24-25-41(50)53)38(46)16-10-6-5-7-11-17-39-47(3,4)35-31-33(67(61,62)63)21-23-37(35)49(39)29-15-9-13-19-45(57)65-51-42(54)26-27-43(51)55;/h5-7,10-11,16-17,20-23,30-31H,8-9,12-15,18-19,24-29H2,1-4H3,(H-,58,59,60,61,62,63);/q;+1/p-1 |
| InChIKey | RNKMGTAIWJUDPN-UHFFFAOYSA-M |
| Storage | -20 °C |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 21 |
| Exact Mass | 1000.26367621 g/mol |
| Monoisotopic Mass | 1000.26367621 g/mol |
| Topological Polar Surface Area | 265Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 2280 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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