Cy5.5 DBCO

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Cy5.5 DBCO

Cy5.5 DBCO | 1857352-95-4

Catalog Number R01-0319
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C59H58N4O14S4
Molecular Weight 1175.37
Catalog Number Size Price Quantity
R01-0319 -- $--

Product Introduction

Cy5.5 DBCO is a linker of Cyanine5.5 fluorophore.

Chemical Information

Synonyms Cy5.5DBCO
Purity 95%
IUPAC Name 3-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate
Canonical SMILES CCN1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(C1=CC=CC=CC4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)[O-])CCCCCC(=O)NCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)(C)C
InChI InChI=1S/C59H58N4O14S4/c1-6-61-48-28-26-43-45(33-41(78(66,67)68)35-50(43)80(72,73)74)56(48)58(2,3)52(61)21-9-7-10-22-53-59(4,5)57-46-34-42(79(69,70)71)36-51(81(75,76)77)44(46)27-29-49(57)62(53)32-16-8-11-23-54(64)60-31-30-55(65)63-37-40-19-13-12-17-38(40)24-25-39-18-14-15-20-47(39)63/h7,9-10,12-15,17-22,26-29,33-36H,6,8,11,16,23,30-32,37H2,1-5H3,(H4-,60,64,66,67,68,69,70,71,72,73,74,75,76,77)
InChI Key VTRGNBPOXZSARU-UHFFFAOYSA-N
Solubility Water, DMSO, DMF, DCM
  • Product Specification
Excitation 678
Emission 694
Storage -20 °C

Computed Properties

XLogP3 6.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 16
Exact Mass 1174.28323723 g/mol
Monoisotopic Mass 1174.28323723 g/mol
Topological Polar Surface Area 310Ų
Heavy Atom Count 81
Formal Charge 0
Complexity 3010
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 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
EP-3929209-A1 Vasopressin-2 receptor antagonist peptides and uses thereof 2020-06-24
CN-111330022-B Tumor-targeting DNA fluorescent probe and preparation method and application thereof 2018-12-18
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