TAMRA alkyne, 6-isomer

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TAMRA alkyne, 6-isomer

TAMRA alkyne, 6-isomer | 1352649-44-5

Catelog Number R02-0037
Category TAMRA
Molecular Formula C28H25N3O4
Molecular Weight 467.52
Catalog Number Size Price Quantity
R02-0037 -- $--

Product Introduction

Tetramethylrhodamine (TAMRA) alkyne, pure 6-isomer. TAMRA is a popular dye that is used in qPCR and other applications. It forms a FRET pair with FAM (serving as an acceptor). This product is a terminal alkyne for copper-catalyzed Click chemistry. It can be conjugated with azide groups using CuAAc reaction.

Chemical Information

Synonyms 2-(3,6-Bis(dimethylamino)xanthylium-9-yl)-4-(prop-2-yn-1-ylcarbamoyl)benzoate; 6-Carboxytetramethylrhodamine, propargylamide
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(prop-2-ynylcarbamoyl)benzoate
Canonical SMILES CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)NCC#C)C(=O)[O-]
InChI InChI=1S/C28H25N3O4/c1-6-13-29-27(32)17-7-10-20(28(33)34)23(14-17)26-21-11-8-18(30(2)3)15-24(21)35-25-16-19(31(4)5)9-12-22(25)26/h1,7-12,14-16H,13H2,2-5H3,(H-,29,32,33,34)
InChI Key ZKVFIMYNEWHSCO-UHFFFAOYSA-N
Solubility good in DMF, DMSO, alcohols
Appearance dark colored solid

Product Specification

ε, L⋅mol-1⋅cm-1 84000
Fluorescence Quantum Yield 0.1
Excitation 541
Emission 567
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 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 467.18450629 g/mol
Monoisotopic Mass 467.18450629 g/mol
Topological Polar Surface Area 84.7Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 1000
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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