Sulfo-Cy5-TCO

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Sulfo-Cy5-TCO

Sulfo-Cy5-TCO | 2129525-69-3

Catalog Number F03-0035
Category sulfo-Cyanine5
Molecular Formula C46H62N4O12S3
Molecular Weight 959.2
Catalog Number Size Price Quantity
F03-0035 -- $--

Product Introduction

Sulfo-Cy5-TCO is water soluble dye containing TCO moiety, which is highly reactive with tetrazines and methyltetrazines with the fastest bioconjugation speed.

Chemical Information

Synonyms 3-(2-(5-(1-(6-((3-((((Cyclooct-4-en-1-yl)oxy)carbonyl)amino)propyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
Purity 95%
IUPAC Name 3-[2-[(1E,3E,5E)-5-[1-[6-[3-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCCCNC(=O)OC5CCCC=CCC5)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)[O-])C
InChI InChI=1S/C46H62N4O12S3/c1-45(2)37-32-35(64(56,57)58)23-25-39(37)49(29-15-9-14-22-43(51)47-27-16-28-48-44(52)62-34-18-10-6-5-7-11-19-34)41(45)20-12-8-13-21-42-46(3,4)38-33-36(65(59,60)61)24-26-40(38)50(42)30-17-31-63(53,54)55/h5-6,8,12-13,20-21,23-26,32-34H,7,9-11,14-19,22,27-31H2,1-4H3,(H4-,47,48,51,52,53,54,55,56,57,58,59,60,61)/b6-5-
InChI Key NOAVEHFDKWMOKQ-WAYWQWQTSA-N
Solubility Water, DMSO, DMF, DCM
  • Product Specification
Excitation 647
Emission 655
Storage -20 °C

Computed Properties

XLogP3 5.6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 20
Exact Mass 958.35263695 g/mol
Monoisotopic Mass 958.35263695 g/mol
Topological Polar Surface Area 265Ų
Heavy Atom Count 65
Formal Charge 0
Complexity 2140
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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