ROX azide, 5-isomer

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ROX azide, 5-isomer

ROX azide, 5-isomer | 2628213-67-0

Catelog Number F05-0001
Category Rhodamine
Molecular Formula C36H36N6O4
Molecular Weight 616.71
Catalog Number Size Price Quantity
F05-0001 -- $--

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

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)
InChI Key GJVOWDZTKGQEFY-UHFFFAOYSA-N
Solubility good in polar organic solvents (DMF, DMSO, alcohols), low in water
Appearance dark crimson powder / red solution

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 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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