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ROX azide, 5-isomer | CAS 2628213-67-0
| Catalog Number | F05-0001 |
| Category | Rhodamine |
| Molecular Formula | C36H36N6O4 |
| Molecular Weight | 616.71 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
ROX (rhodamine-X) azide, solid material, and 10 mM solution in DMSO, labeling reagent for Click Chemistry. ROX is a red-emitting rhodamine dye possessing high brightness and fluorescence quantum yield. Pure 5-isomer.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 5-Carboxy-X-rhodamine Azide |
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 5-(3-azidopropylcarbamoyl)-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)NCCCN=[N+]=[N-])C(=O)[O-])CCC7 |
| InChI | InChI=1S/C36H36N6O4/c37-40-39-13-5-12-38-35(43)23-10-11-24(27(20-23)36(44)45)30-28-18-21-6-1-14-41-16-3-8-25(31(21)41)33(28)46-34-26-9-4-17-42-15-2-7-22(32(26)42)19-29(30)34/h10-11,18-20H,1-9,12-17H2,(H-,38,43,44,45) |
| InChIKey | GJVOWDZTKGQEFY-UHFFFAOYSA-N |
| Solubility | good in polar organic solvents (DMF, DMSO, alcohols), low in water |
| Appearance | dark crimson powder / red solution |
| 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. |
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 616.27980365 g/mol |
| Monoisotopic Mass | 616.27980365 g/mol |
| Topological Polar Surface Area | 99.1Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1400 |
| 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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