Sulfo-Cyanine7.5 carboxylic acid

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Sulfo-Cyanine7.5 carboxylic acid

Sulfo-Cyanine7.5 carboxylic acid

Catalog Number F03-0019
Category sulfo-Cyanine7.5
Molecular Formula C45H45K3N2O14S4
Molecular Weight 1083.41
Catalog Number Size Price Quantity
F03-0019 -- $--

Product Introduction

Sulfo-Cyanine7.5 is a water soluble, near infrared fluorescent dye. The structure of the dye is similar to indocyanine green (ICG), but it contains a rigid trimethine linker increasing its fluorescence quantum yield. This fluorophore is useful for near infrared imaging. Sulfo-Cyanine7.5 carboxylic acid contains a free carboxy group.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name tripotassium;3-(5-carboxypentyl)-1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[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-])C)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/C45H48N2O14S4.3K/c1-44(2)39(46(5)35-17-15-31-33(42(35)44)23-29(62(50,51)52)25-37(31)64(56,57)58)19-13-27-10-9-11-28(22-27)14-20-40-45(3,4)43-34-24-30(63(53,54)55)26-38(65(59,60)61)32(34)16-18-36(43)47(40)21-8-6-7-12-41(48)49;;;/h13-20,22-26H,6-12,21H2,1-5H3,(H4-,48,49,50,51,52,53,54,55,56,57,58,59,60,61);;;/q;3*+1/p-3
InChI Key PXONAKGPEHLATG-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 1
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 12
Exact Mass 1082.0664833 g/mol
Monoisotopic Mass 1082.0664833 g/mol
Topological Polar Surface Area 306Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 2490
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes
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