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diSulfo-Cy7-bis NHS ester

Name: diSulfo-Cy7-bis NHS ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Product Introduction

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

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
InChIKey	RNKMGTAIWJUDPN-UHFFFAOYSA-M

Storage

-20 °C

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	265Å²
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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