Sulfo-Cyanine7.5 dicarboxylic acid

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Sulfo-Cyanine7.5 dicarboxylic acid

Sulfo-Cyanine7.5 dicarboxylic acid

Catelog Number F03-0020
Category sulfo-Cyanine7.5
Molecular Formula C50H53N2K3O16S4
Molecular Weight 1183.51
Catalog Number Size Price Quantity
F03-0020 -- $--

Product Introduction

Sulfo-Cyanine7.5 dicarboxylic acid is a bifunctional near infrared fluorescent dye with two carboxylic acid groups. The reagent is useful as a cross-linker that is NIR emitting. The carboxylic acid groups can be activated by carbodiimide chemistry.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name tripotassium;3-(5-carboxypentyl)-2-[(2E)-2-[3-[(E)-2-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indole-6,8-disulfonate
Canonical SMILES CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCC(=O)O)C=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)O)C=CC7=C6C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCC4)C.[K+].[K+].[K+]
InChI InChI=1S/C50H56N2O16S4.3K/c1-49(2)43(51(24-9-5-7-14-45(53)54)39-20-18-35-37(47(39)49)27-33(69(57,58)59)29-41(35)71(63,64)65)22-16-31-12-11-13-32(26-31)17-23-44-50(3,4)48-38-28-34(70(60,61)62)30-42(72(66,67)68)36(38)19-21-40(48)52(44)25-10-6-8-15-46(55)56;;;/h16-23,26-30H,5-15,24-25H2,1-4H3,(H5-,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68);;;/q;3*+1/p-3
InChI Key SAEKQXMPJWSWIA-UHFFFAOYSA-K
Solubility good in water, DMF, DMSO
Appearance dark green solid

Product Specification

ε, L⋅mol-1⋅cm-1 222000
Excitation 778
Emission 797
Storage 24 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 2
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 18
Exact Mass 1182.1189128 g/mol
Monoisotopic Mass 1182.1189128 g/mol
Topological Polar Surface Area 343Ų
Heavy Atom Count 75
Formal Charge 0
Complexity 2690
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes
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