diSulfo-Cy7-bis NHS ester

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diSulfo-Cy7-bis NHS ester

diSulfo-Cy7-bis NHS ester

Catelog Number F03-0037
Category sulfo-Cyanine7
Molecular Formula C47H53KN4O14S2
Molecular Weight 1001.2
Catalog Number Size Price Quantity
F03-0037 -- $--

Product Introduction

diSulfo-Cy7-bis NHS ester, an improved analog of Cy7

Chemical Information

Purity 97%
IUPAC Name potassium;(2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[(2E,4E,6E)-7-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindole-5-sulfonate
Canonical SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)C.[K+]
InChI InChI=1S/C47H54N4O14S2.K/c1-46(2)34-30-32(66(58,59)60)20-22-36(34)48(28-14-8-12-18-44(56)64-50-40(52)24-25-41(50)53)38(46)16-10-6-5-7-11-17-39-47(3,4)35-31-33(67(61,62)63)21-23-37(35)49(39)29-15-9-13-19-45(57)65-51-42(54)26-27-43(51)55;/h5-7,10-11,16-17,20-23,30-31H,8-9,12-15,18-19,24-29H2,1-4H3,(H-,58,59,60,61,62,63);/q;+1/p-1
InChI Key RNKMGTAIWJUDPN-UHFFFAOYSA-M

Product Specification

Storage -20 °C

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 21
Exact Mass 1000.26367621 g/mol
Monoisotopic Mass 1000.26367621 g/mol
Topological Polar Surface Area 265Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 2280
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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