ROX maleimide, 5-isomer

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ROX maleimide, 5-isomer

ROX maleimide, 5-isomer

Catelog Number F05-0002
Category Rhodamine
Molecular Formula C39H36N4O6
Molecular Weight 656.73
Catalog Number Size Price Quantity
F05-0002 -- $--

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

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)
InChI Key HVAPFBLXEHPEQX-UHFFFAOYSA-N
Solubility good in DMSO, DMF
Appearance red powder

Product Specification

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.

Computed Properties

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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