| CAS Number | 1032678-42-4 |
| Catalog Number | AG0097FC |
| Chemical Name | Cyanine5 NHS ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoate;chloride |
| InChI | InChI=1S/C36H42N3O4.ClH/c1-35(2)26-16-11-13-18-28(26)37(5)30(35)20-8-6-9-21-31-36(3,4)27-17-12-14-19-29(27)38(31)25-15-7-10-22-34(42)43-39-32(40)23-24-33(39)41;/h6,8-9,11-14,16-21H,7,10,15,22-25H2,1-5H3;1H/q+1;/p-1 |
| InChI Key | WYDRTLYIBJFWFL-UHFFFAOYSA-M |
| MDL Number | MFCD32206155 |
| Molecular Formula | C36H42ClN3O4 |
| Molecular Weight | 616.1894 |
| SMILES | [Cl-].O=C(ON1C(=O)CCC1=O)CCCCC[N+]=2C=3C=CC=CC3C(C2C=CC=CC=C4N(C=5C=CC=CC5C4(C)C)C)(C)C |
| Synonyms | 1032678-42-4,
Cy5-NHS ester,
ACN-041183,
BP-22275,
2-((1E,3E)-5-((E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride,
Cyanine5 NHS ester,
Cyanine5 NHS ester, 95% - 25MG 25mg,
|
| Complexity | 1190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 615.286g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 616.199g/mol |
| Monoisotopic Mass | 615.286g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 69.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number