Sulfo-Cyanine5 NHS ester

Product Introduction

Water soluble Cyanine 5 succinimidyl ester (SE), an equivalent of Cy5® NHS ester, for the labeling of various amine-containing molecules in aqueous phase without use of any organic co-solvent. This product is therefore particularly useful for the labeling of proteins which denature in the presence of organic co-solvents, as well as for proteins with low solubility.Sulfo-Cyanine 5 is an analog of Cy5®, one of the most popular fluorophores which is compatible with various equipment such as plate readers, microscopes, and imagers.

Chemical Information
Related CAS	937739-58-7 (inner salt) 2230212-27-6 (potassium salt)
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	sodium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[(2E,4Z)-5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
Canonical SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[Na+]
InChI	InChI=1S/C36H41N3O10S2.Na/c1-35(2)26-22-24(50(43,44)45)15-17-28(26)37(5)30(35)12-8-6-9-13-31-36(3,4)27-23-25(51(46,47)48)16-18-29(27)38(31)21-11-7-10-14-34(42)49-39-32(40)19-20-33(39)41;/h6,8-9,12-13,15-18,22-23H,7,10-11,14,19-21H2,1-5H3,(H-,43,44,45,46,47,48);/q;+1/p-1
InChI Key	JYLBFAAZKFROET-UHFFFAOYSA-M
Solubility	very good in water, good in DMF and DMSO
Appearance	dark blue powder

Computed Properties
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	761.20528111 g/mol
Monoisotopic Mass	761.20528111 g/mol
Topological Polar Surface Area	201Ų
Heavy Atom Count	52
Formal Charge	0
Complexity	1690
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