Sulfo-Cyanine7.5 azide

Product Introduction

Sulfo-Cyanine7.5 is a heptamethyne cyanine dye for the near infrared region of the spectrum, which is very hydrophilic, and water soluble. The fluorophore resembles ICG (indocyanine green) that has a long history of in vivo use, and is even approved for human angiography. However, compared to ICG, sulfo-Cyanine7.5 has a significantly improved fluorescence quantum yield due to the rugged polymethine chain reinforced with trimethylene bridge.Sulfo-Cyanine7.5 is available as a number of reactive derivatives. This azide can be used for the easy labeling of various biomolecules by copper-catalyzed or copper free Click chemistry.

Chemical Information
Purity	NMR 1H, HPLC-MS (95%)
IUPAC Name	tripotassium;3-[6-(3-azidopropylamino)-6-oxohexyl]-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)NCCCN=[N+]=[N-])C=CC7=C6C=C(C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])(C)C)CCC4)C.[K+].[K+].[K+]
InChI	InChI=1S/C48H54N6O13S4.3K/c1-47(2)42(53(5)38-18-16-34-36(45(38)47)26-32(68(56,57)58)28-40(34)70(62,63)64)20-14-30-11-9-12-31(25-30)15-21-43-48(3,4)46-37-27-33(69(59,60)61)29-41(71(65,66)67)35(37)17-19-39(46)54(43)24-8-6-7-13-44(55)50-22-10-23-51-52-49;;;/h14-21,25-29H,6-13,22-24H2,1-5H3,(H4-,50,55,56,57,58,59,60,61,62,63,64,65,66,67);;;/q;3*+1/p-3
InChI Key	QXFFSPPKMMLKON-UHFFFAOYSA-K
Solubility	good in water, DMSO, DMF
Appearance	dark colored solid

Computed Properties
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	16
Exact Mass	1164.1308149 g/mol
Monoisotopic Mass	1164.1308149 g/mol
Topological Polar Surface Area	312Ų
Heavy Atom Count	74
Formal Charge	0
Complexity	2710
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