Sulfo-Cyanine5.5 azide

Product Introduction

Sulfo-Cyanine5.5 is a water-soluble, hydrophilic fluorophore which possesses emission in far red area of the spectrum, an analog of Cy5.5®. As other cyanine dyes, sulfo-Cyanine5.5 has an outstanding molar extinction coefficient which gives rise to its bright fluorescence. The molecule contains four sulfo groups that provide hydrophilicity and negative charge to the fluorophore-this minimizes non-specific binding. The azide group of sulfo-Cyanine5.5 azide can be conjugated with terminal alkynes in the presence of copper(I) catalyst, or with cycloalkynes in copper free strain promoted reaction.

Chemical Information
Purity	NMR 1H, HPLC-MS (95%)
Canonical SMILES	CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCCCN=[N+]=[N-])C=CC6=C5C=C(C=C6S(=O)(=O)[O-])S(=O)(=O)O)(C)C)C.[K]
InChI	InChI=1S/C43H48N6O13S4.K/c1-42(2)37(48(5)33-18-16-29-31(40(33)42)23-27(63(51,52)53)25-35(29)65(57,58)59)13-8-6-9-14-38-43(3,4)41-32-24-28(64(54,55)56)26-36(66(60,61)62)30(32)17-19-34(41)49(38)22-11-7-10-15-39(50)45-20-12-21-46-47-44;/h6,8-9,13-14,16-19,23-26H,7,10-12,15,20-22H2,1-5H3,(H4-,45,50,51,52,53,54,55,56,57,58,59,60,61,62);
InChI Key	OOHWEMZFAYVAHB-UHFFFAOYSA-N
Solubility	good in water, DMF, DMSO
Appearance	dark colored solid

Computed Properties
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	16
Exact Mass	1023.17992679 g/mol
Monoisotopic Mass	1023.17992679 g/mol
Topological Polar Surface Area	304Ų
Heavy Atom Count	67
Formal Charge	0
Complexity	2450
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	2
Compound Is Canonicalized	Yes