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ROX DBCO, 5-isomer
| Catalog Number | R09-0009 |
| Category | Rhodamine |
| Molecular Formula | C54H50N4O5 |
| Molecular Weight | 835.00 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
ROX DBCO is a conjugate of bright rhodamine dye rhodamine X, and DBCO (dibenzocyclooctyne)-a reactive group that contains a strained alkyne bond for the conjugation with azides. This reagent is useful for the labeling of various azides with ROX dye.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 5-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]carbamoyl]-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate |
| Canonical SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)NCCCCCC(=O)N9CC1=CC=CC=C1C#CC1=CC=CC=C19)C(=O)[O-])CCC7 |
| InChI | InChI=1S/C54H50N4O5/c59-47(58-33-39-14-4-3-12-34(39)21-22-35-13-5-6-19-46(35)58)20-2-1-7-25-55-53(60)38-23-24-40(43(32-38)54(61)62)48-44-30-36-15-8-26-56-28-10-17-41(49(36)56)51(44)63-52-42-18-11-29-57-27-9-16-37(50(42)57)31-45(48)52/h3-6,12-14,19,23-24,30-32H,1-2,7-11,15-18,20,25-29,33H2,(H-,55,60,61,62) |
| InChIKey | UGNFZBOWTJKONJ-UHFFFAOYSA-N |
| Solubility | good in DMF, DMSO |
| Appearance | red solid |
| ε, L⋅mol-1⋅cm-1 | 93000 |
| Fluorescence Quantum Yield | 1.00 |
| Excitation | 570 |
| Emission | 591 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
| XLogP3 | 7.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 834.37812071 g/mol |
| Monoisotopic Mass | 834.37812071 g/mol |
| Topological Polar Surface Area | 105Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1960 |
| 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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