| CAS Number | 1448789-45-4 |
| Catalog Number | AG019E9B |
| Chemical Name | Lumiprobe Sulfo-Cy 5 NHS Ester |
| IUPAC Name | sodium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate |
| InChI | InChI=1S/C36H41N3O10S2.Na/c1-35(2)26-22-24(50(43,44)45)15-17-28(26)37(5)30(35)12-8-6-9-13-31-36(3,4)27-23-25(51(46,47)48)16-18-29(27)38(31)21-11-7-10-14-34(42)49-39-32(40)19-20-33(39)41;/h6,8-9,12-13,15-18,22-23H,7,10-11,14,19-21H2,1-5H3,(H-,43,44,45,46,47,48);/q;+1/p-1 |
| InChI Key | JYLBFAAZKFROET-UHFFFAOYSA-M |
| MDL Number | MFCD28334524 |
| Molecular Formula | C36H40N3NaO10S2 |
| Molecular Weight | 761.8367 |
| SMILES | O=C(ON1C(=O)CCC1=O)CCCCC[N+]1=C(/C=C/C=C/C=C2/N(C)c3c(C2(C)C)cc(cc3)S(=O)(=O)[O-])C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C.[Na+] |
| Synonyms | Lumiprobe Sulfo-Cy 5 NHS ester,
1448789-45-4,
|
| Complexity | 1690 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 761.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 761.837g/mol |
| Monoisotopic Mass | 761.205g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 201A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number