ROX alkyne, 5-isomer | 2264016-88-6

Catalog Number	R02-0030
Category	Rhodamine
Molecular Formula	C36H33N3O4
Molecular Weight	571.66

Catalog Number	Size	Price	Quantity
R02-0030	--	$--

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Product Introduction

With its quantum yield approaching unity, ROX has become a popular dye for qPCR and microscopy. This bright fluorophore is available as an alkyne for copper-catalyzed Click chemistry reaction. This is a pure 5-isomer of ROX.

Chemical Information
Synonyms	5-Carboxy-X-rhodamine alkyne; 9-[2-Carboxy-4-[[(prop-2-yn-1-yl)amino]carbonyl]phenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium inner salt
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	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)-5-(prop-2-ynylcarbamoyl)benzoate
Canonical SMILES	C#CCNC(=O)C1=CC(=C(C=C1)C2=C3C=C4CCC[N+]5=C4C(=C3OC6=C2C=C7CCCN8C7=C6CCC8)CCC5)C(=O)[O-]
InChI	InChI=1S/C36H33N3O4/c1-2-13-37-35(40)23-11-12-24(27(20-23)36(41)42)30-28-18-21-7-3-14-38-16-5-9-25(31(21)38)33(28)43-34-26-10-6-17-39-15-4-8-22(32(26)39)19-29(30)34/h1,11-12,18-20H,3-10,13-17H2,(H-,37,40,41,42)
InChI Key	CVKMZLSPUPLXNQ-UHFFFAOYSA-N
Solubility	good in DMSO, DMF, methanol, ethanol
Appearance	purple solid

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. Desiccate.

Computed Properties
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	571.24710654 g/mol
Monoisotopic Mass	571.24710654 g/mol
Topological Polar Surface Area	84.7Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1340
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

Applications of Fluorescent Probes & Dyes

Laser Dye

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ROX alkyne, 5-isomer | 2264016-88-6

Product Introduction

Chemical Information

Computed Properties