Sulfo-Cyanine7 bis-NHS ester

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Sulfo-Cyanine7 bis-NHS ester

Sulfo-Cyanine7 bis-NHS ester

Catalog Number R01-0034
Category sulfo-Cyanine7
Molecular Formula C50H57N4KO14S2
Molecular Weight 1041.23
Catalog Number Size Price Quantity
R01-0034 -- $--

Product Introduction

Sulfo-Cyanine7 bis-NHS ester is a water-soluble, bifunctional cross-linker that contains a core of near infrared, water soluble dye sulfo-Cyanine7, and two amine-reactive NHS ester groups.

Chemical Information

Synonyms Sulfo-Cy7 bis-NHS ester
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name potassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E)-2-[3-[(E)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindole-5-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)CCCCCC(=O)ON7C(=O)CCC7=O)C.[K+]
InChI InChI=1S/C50H58N4O14S2.K/c1-49(2)37-31-35(69(61,62)63)18-20-39(37)51(28-9-5-7-14-47(59)67-53-43(55)24-25-44(53)56)41(49)22-16-33-12-11-13-34(30-33)17-23-42-50(3,4)38-32-36(70(64,65)66)19-21-40(38)52(42)29-10-6-8-15-48(60)68-54-45(57)26-27-46(54)58;/h16-23,30-32H,5-15,24-29H2,1-4H3,(H-,61,62,63,64,65,66);/q;+1/p-1
InChI Key QNQRBLILCWCNAQ-UHFFFAOYSA-M
Solubility good in DMF, DMSO, water
Appearance dark colored solid
  • Product Specification
ε, L⋅mol-1⋅cm-1 240600
Excitation 750
Emission 773
Storage 12 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 0
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 20
Exact Mass 1040.29497634 g/mol
Monoisotopic Mass 1040.29497634 g/mol
Topological Polar Surface Area 265Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 2440
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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