CY5

Chemical Information
| CAS Number | 146368-11-8 |
| PubChem CID | 17758493 |
| IUPAC Name | (2E)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate |
| Molecular Formula | C33H40N2O8S2 |
| Molecular Weight | 656.8 |
| XLogP | 4.6 |
| Topological Polar Surface Area | 172 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1430 |
| Property | Value |
|---|---|
| Molecular Weight | 656.8 |
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 656.22260859 |
| Monoisotopic Mass | 656.22260859 |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1430 |
| 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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