AG001DY3

146368-11-8 | Sulfo-cyanine5 carboxylic acid

AG001DY3

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CAS Number	146368-11-8
Catalog Number	AG001DY3(AGN-PC-0PYMRE)
Chemical Name	Sulfo-cyanine5 carboxylic acid
IUPAC Name	(2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
InChI	InChI=1S/C33H40N2O8S2/c1-6-34-27-18-16-23(44(38,39)40)21-25(27)32(2,3)29(34)13-9-7-10-14-30-33(4,5)26-22-24(45(41,42)43)17-19-28(26)35(30)20-12-8-11-15-31(36)37/h7,9-10,13-14,16-19,21-22H,6,8,11-12,15,20H2,1-5H3,(H2-,36,37,38,39,40,41,42,43)
InChI Key	HPICMEGAGMPYID-UHFFFAOYSA-N
MDL Number	MFCD29477740
Molecular Formula	C33H40N2O8S2
Molecular Weight	656.8093
SMILES	C(=O)(O)CCCCCN1C(C(C2=CC(=CC=C12)S(=O)(=O)O)(C)C)=CC=CC=CC1=[N+](C2=CC=C(C=C2C1(C)C)S(=O)(=O)[O-])CC
Synonyms	Sulfo-Cy5-acid, 146368-11-8, Cy5, 2-(5-(1-(5-Carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate, HY-D0821, CS-5034, 2-((1E,3E,5E)-5-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate, Sulfo Cy5 Carboxylic acids(ethyl),

Complexity	1430
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Exact Mass	656.223g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	656.809g/mol
Monoisotopic Mass	656.223g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	172A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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