Sulfo-Cyanine7.5 alkyne

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Sulfo-Cyanine7.5 alkyne

Sulfo-Cyanine7.5 alkyne

Catalog Number R02-0035
Category Alkynes
Molecular Formula C48H48N3K3O13S4
Molecular Weight 1120.46
Catalog Number Size Price Quantity
R02-0035 -- $--

Product Introduction

Sulfo-Cyanine7.5 is a near infrared, sulfonated cyanine dye with rigidized trimethylene chain. The fluorophore is structurally very similar to indocyanine green (ICG) dye that has been approved for human use. However, the dye has an improved quantum yield because of its rigidized structure. This is an alkyne derivative for copper catalyzed Click chemistry.

Chemical Information

Purity NMR 1H, HPLC-MS (95%)
IUPAC Name tripotassium;1,1-dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]-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)NCC#C)C=CC7=C6C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCC4)C.[K+].[K+].[K+]
InChI InChI=1S/C48H51N3O13S4.3K/c1-7-23-49-44(52)14-9-8-10-24-51-39-20-18-35-37(27-33(66(56,57)58)29-41(35)68(62,63)64)46(39)48(4,5)43(51)22-16-31-13-11-12-30(25-31)15-21-42-47(2,3)45-36-26-32(65(53,54)55)28-40(67(59,60)61)34(36)17-19-38(45)50(42)6;;;/h1,15-22,25-29H,8-14,23-24H2,2-6H3,(H4-,49,52,53,54,55,56,57,58,59,60,61,62,63,64);;;/q;3*+1/p-3
InChI Key CSMVGXVYMGBYSA-UHFFFAOYSA-K
Solubility good in water, DMSO, DMF
Appearance dark colored 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 14
Rotatable Bond Count 13
Exact Mass 1119.0981177 g/mol
Monoisotopic Mass 1119.0981177 g/mol
Topological Polar Surface Area 298Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 2640
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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