Sulfo-Cy5 Picolyl Azide

Name: Sulfo-Cy5 Picolyl Azide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	Size	Price	Quantity
F03-0029	--	$--

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* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

IUPAC Name	1-[6-[[3-[[6-(azidomethyl)pyridin-3-yl]amino]-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate
Canonical SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C)CCCCCC(=O)NCCC(=O)NC5=CN=C(C=C5)CN=[N+]=[N-])C
InChI	InChI=1S/C43H52N8O11S3/c1-42(2)34-26-32(64(57,58)59)17-19-36(34)50(23-10-6-9-14-40(52)45-22-21-41(53)48-31-16-15-30(46-28-31)29-47-49-44)38(42)12-7-5-8-13-39-43(3,4)35-27-33(65(60,61)62)18-20-37(35)51(39)24-11-25-63(54,55)56/h5,7-8,12-13,15-20,26-28H,6,9-11,14,21-25,29H2,1-4H3,(H4-,45,48,52,53,54,55,56,57,58,59,60,61,62)
InChI Key	ABEBFVMRJPOACK-UHFFFAOYSA-N
Solubility	Water, DMSO, DMF

Computed Properties
XLogP3	3.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	20
Exact Mass	952.29176803 g/mol
Monoisotopic Mass	952.29176803 g/mol
Topological Polar Surface Area	283Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	2210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes