Products 407628-15-3

CAS 407628-15-3 is the registry number for Alexa Fluor 680 NHS ester. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

3-[5-bromo-2-[(1E,3E,5Z)-5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3-methyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl]propane-1-sulfonate (CAS 407628-15-3) is a chemical compound with the molecular formula C39H47BrN4O13S3 and a molecular weight of 955.9 g/mol. IUPAC name: 3-[5-bromo-2-[(1E,3E,5Z)-5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3-methyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl]propane-1-sulfonate. InChIKey: DWDNCUSFLUAVMI-UHFFFAOYSA-N.

Identity
Molecular formulaC39H47BrN4O13S3
Molecular weight955.9 g/mol
IUPAC name3-[5-bromo-2-[(1E,3E,5Z)-5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3-methyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl]propane-1-sulfonate
InChIKeyDWDNCUSFLUAVMI-UHFFFAOYSA-N
SMILESCC1(C2=C(N=C1/C=C/C=C/C=C\3/C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)CCCCCC(=O)ON5C(=O)CCC5=O)[N+](=CC(=C2)Br)CCCS(=O)(=O)[O-])C

Computed by PubChem (NCBI)