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CalFluor 555 Azide | CAS 1798305-99-3
| Catalog Number | F04-0009 |
| Category | Fluorescein FAM |
| Molecular Formula | C41H60N7O11S2 |
| Molecular Weight | 891.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[4-azido-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[dimethyl(3-sulfonatopropyl)azaniumyl]ethoxy]ethoxy]phenoxy]ethoxy]ethyl-dimethylazaniumyl]propane-1-sulfonate |
| Canonical SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC(=C(C=C4OCCOCC[N+](C)(C)CCCS(=O)(=O)[O-])OCCOCC[N+](C)(C)CCCS(=O)(=O)[O-])N=[N+]=[N-] |
| InChI | InChI=1S/C41H60N7O11S2/c1-45(2)31-11-13-33-38(27-31)59-39-28-32(46(3)4)12-14-34(39)41(33)35-29-36(43-44-42)40(58-24-22-56-20-18-48(7,8)16-10-26-61(52,53)54)30-37(35)57-23-21-55-19-17-47(5,6)15-9-25-60(49,50)51/h11-14,27-30H,9-10,15-26H2,1-8H3/q+1 |
| InChIKey | YSYLJQBBTLEFRT-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 23 |
| Exact Mass | 890.37922310 g/mol |
| Monoisotopic Mass | 890.37922310 g/mol |
| Topological Polar Surface Area | 198Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 1 |
| Complexity | 1780 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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