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ROX maleimide, 5-isomer
| Catalog Number | F05-0002 |
| Category | Rhodamine |
| Molecular Formula | C39H36N4O6 |
| Molecular Weight | 656.73 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
ROX is a bright rhodamine dye with emission maximum around 580 nm. It is widely used for the labeling of biomolecules. As other rhodamine dyes, it comes as two isomers, 5-ROX and 6-ROX. Although these isomers have almost identical spectral properties, they need to be separated to avoid doubling of labeled products on HPLC or electrophoresis. This derivative contains thiol-reactive maleimide moiety for the attachment of ROX fluorophore to SH groups, such as cystein residues in proteins and peptides.
Chemical Information
Product Specification
Computed Properties
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | 5-[2-(2,5-dioxopyrrol-1-yl)ethylcarbamoyl]-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)NCCN9C(=O)C=CC9=O)C(=O)[O-])CCC7 |
| InChI | InChI=1S/C39H36N4O6/c44-31-11-12-32(45)43(31)18-13-40-38(46)24-9-10-25(28(21-24)39(47)48)33-29-19-22-5-1-14-41-16-3-7-26(34(22)41)36(29)49-37-27-8-4-17-42-15-2-6-23(35(27)42)20-30(33)37/h9-12,19-21H,1-8,13-18H2,(H-,40,46,47,48) |
| InChIKey | HVAPFBLXEHPEQX-UHFFFAOYSA-N |
| Solubility | good in DMSO, DMF |
| Appearance | red powder |
| 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 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 656.26348488 g/mol |
| Monoisotopic Mass | 656.26348488 g/mol |
| Topological Polar Surface Area | 122Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1560 |
| 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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