DiO

Chemical Information
DiOC18(3) dye is a Cy3 dye, a member of 1,3-benzoxazoles and an organic perchlorate salt. It has a role as a fluorochrome. It contains a diOC18(3)(1+).
| CAS Number | 34215-57-1 |
| PubChem CID | 5706734 |
| IUPAC Name | (2Z)-3-octadecyl-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole perchlorate |
| Molecular Formula | C53H85ClN2O6 |
| Molecular Weight | 881.7 |
| Topological Polar Surface Area | 104 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 36 |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Property | Value |
|---|---|
| Molecular Weight | 881.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 36 |
| Exact Mass | 880.6096161 |
| Monoisotopic Mass | 880.6096161 |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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