R6G alkyne, 6-isomer

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R6G alkyne, 6-isomer

R6G alkyne, 6-isomer

Catalog Number R02-0029
Category Alkynes
Molecular Formula C30H29N3O4
Molecular Weight 495.57
Catalog Number Size Price Quantity
R02-0029 -- $--

Product Introduction

Rhodamine 6G (R6G) is a xanthene dye of rhodamine series. Compared to fluorescein, its emission is shifted to red. It is also much more photostable. The fluorophore has a high quantum yield. This R6G product contains a terminal alkyne moiety for the conjugation with azides in the presence of copper (I) catalyst.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]-4-(prop-2-ynylcarbamoyl)benzoic acid
Canonical SMILES CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=C(C=CC(=C4)C(=O)NCC#C)C(=O)O
InChI InChI=1S/C30H29N3O4/c1-6-11-33-29(34)19-9-10-20(30(35)36)21(14-19)28-22-12-17(4)24(31-7-2)15-26(22)37-27-16-25(32-8-3)18(5)13-23(27)28/h1,9-10,12-16,31H,7-8,11H2,2-5H3,(H,33,34)(H,35,36)
InChI Key QQIQIYOOKKWTRU-UHFFFAOYSA-N
Solubility good in DMF, DMSO, alcohols
Appearance dark colored solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 116000
Fluorescence Quantum Yield 0.95
Excitation 518
Emission 542
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 3.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 495.21580641 g/mol
Monoisotopic Mass 495.21580641 g/mol
Topological Polar Surface Area 100Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 1090
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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