Trisulfo-Cy5-alkyne

Online Inquiry

Catalog Number	CCR2055138902
CAS	2055138-90-2
IUPAC Name	2-[(1E,3E,5Z)-5-[3,3-Dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
Molecular Weight	787.96
Molecular Formula	C37H45N3O10S3
Canonical SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCC#C)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C
InChI	InChI=1S/C37H45N3O10S3/c1-6-21-38-35(41)16-11-8-12-22-39-31-19-17-27(52(45,46)47)25-29(31)36(2,3)33(39)14-9-7-10-15-34-37(4,5)30-26-28(53(48,49)50)18-20-32(30)40(34)23-13-24-51(42,43)44/h1,7,9-10,14-15,17-20,25-26H,8,11-13,16,21-24H2,2-5H3,(H3-,38,41,42,43,44,45,46,47,48,49,50)
InChI Key	DKRNQQAUDARDNM-UHFFFAOYSA-N
Solubility	Soluble in water, DMSO, DMF, DCM
Application	CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity	1840
Exact Mass	787.22670816
Isomeric SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C\3/C(C4=C(N3CCCCCC(=O)NCC#C)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C
Monoisotopic Mass	787.22670816
Topological Polar Surface Area	226 Å²

Please kindly note that our products and services are for research use only.