Cy5 DBCO

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Cy5 DBCO

Cy5 DBCO | 2182601-72-3

Catalog Number R01-0320
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C50H53ClN4O2
Molecular Weight 777.5
Catalog Number Size Price Quantity
R01-0320 -- $--

Product Introduction

Cy5 DBCO is a linker of the cyanine5 dye. The addition of the DBCO molecule allows for the compound to undergo copper-free Click Chemistry reactions.

Chemical Information

Synonyms Cy5 DBCO (chloride)
Purity 98%
IUPAC Name N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-6-[(2E)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.[Cl-]
InChI InChI=1S/C50H52N4O2.ClH/c1-49(2)40-23-14-17-26-43(40)52(5)45(49)28-8-6-9-29-46-50(3,4)41-24-15-18-27-44(41)53(46)35-19-7-10-30-47(55)51-34-33-48(56)54-36-39-22-12-11-20-37(39)31-32-38-21-13-16-25-42(38)54;/h6,8-9,11-18,20-29H,7,10,19,30,33-36H2,1-5H3;1H
InChI Key HWIXBRHDYGXXEQ-UHFFFAOYSA-N
  • Product Specification
Storage -20 °C

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 12
Exact Mass 776.3857046 g/mol
Monoisotopic Mass 776.3857046 g/mol
Topological Polar Surface Area 55.7Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1600
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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