sulfo-Cyanine3 DBCO

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sulfo-Cyanine3 DBCO

sulfo-Cyanine3 DBCO

Catalog Number R09-0010
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C51H55N4KO8S2
Molecular Weight 955.23
Catalog Number Size Price Quantity
R09-0010 -- $--

Product Introduction

Sulfo-Cyanine3 DBCO is a water soluble fluorescent dye with cycloalkyne group for copper free Click chemistry.DBCO (dibenzocyclooctyne) is a cyclooctyne with very high reactivity towards azides, still possessing good stability.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name potassium;1-[6-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]amino]-6-oxohexyl]-3,3-dimethyl-2-[3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)NCCCCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI InChI=1S/C51H56N4O8S2.K/c1-50(2)41-33-39(64(58,59)60)27-29-44(41)53(5)46(50)21-16-22-47-51(3,4)42-34-40(65(61,62)63)28-30-45(42)54(47)32-15-7-8-23-48(56)52-31-14-6-9-24-49(57)55-35-38-19-11-10-17-36(38)25-26-37-18-12-13-20-43(37)55;/h10-13,16-22,27-30,33-34H,6-9,14-15,23-24,31-32,35H2,1-5H3,(H2-,52,56,58,59,60,61,62,63);/q;+1/p-1
InChI Key RVXZNWAROQXSQM-UHFFFAOYSA-M
Solubility soluble in water (0.11 M = 11 g/L), DMF, DMSO
Appearance red solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 162000
Fluorescence Quantum Yield 0.1
Excitation 548
Emission 563
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

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 15
Exact Mass 954.30983856 g/mol
Monoisotopic Mass 954.30983856 g/mol
Topological Polar Surface Area 187Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 2120
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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