ROX DBCO, 5-isomer

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ROX DBCO, 5-isomer

ROX DBCO, 5-isomer

Catalog Number R09-0009
Category Rhodamine
Molecular Formula C54H50N4O5
Molecular Weight 835.00
Catalog Number Size Price Quantity
R09-0009 -- $--

Product Introduction

ROX DBCO is a conjugate of bright rhodamine dye rhodamine X, and DBCO (dibenzocyclooctyne)-a reactive group that contains a strained alkyne bond for the conjugation with azides. This reagent is useful for the labeling of various azides with ROX dye.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 5-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]carbamoyl]-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)NCCCCCC(=O)N9CC1=CC=CC=C1C#CC1=CC=CC=C19)C(=O)[O-])CCC7
InChI InChI=1S/C54H50N4O5/c59-47(58-33-39-14-4-3-12-34(39)21-22-35-13-5-6-19-46(35)58)20-2-1-7-25-55-53(60)38-23-24-40(43(32-38)54(61)62)48-44-30-36-15-8-26-56-28-10-17-41(49(36)56)51(44)63-52-42-18-11-29-57-27-9-16-37(50(42)57)31-45(48)52/h3-6,12-14,19,23-24,30-32H,1-2,7-11,15-18,20,25-29,33H2,(H-,55,60,61,62)
InChI Key UGNFZBOWTJKONJ-UHFFFAOYSA-N
Solubility good in DMF, DMSO
Appearance red 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 7.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 834.37812071 g/mol
Monoisotopic Mass 834.37812071 g/mol
Topological Polar Surface Area 105Ų
Heavy Atom Count 63
Formal Charge 0
Complexity 1960
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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