Name: CY5-SE triethylamine salt
Rating: 5 (10 reviews)

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HIT ID:HIT212653277
Cas No:1497420-70-8
常用名:CY5-SE triethylamine salt
别名:Fluorolink Cy5 triethanolamine salt, Cy5-SE (triethylamine salt)
别名:Fluorolink Cy5 triethanolamine salt, Cy5-SE (triethylamine salt)
IUPAC:triethylamine 2-[(1E,3E)-5-[(2E)-1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC:triethylamine 2-[(1E,3E)-5-[(2E)-1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI key:IFUMHFCOWWJPSC-UHFFFAOYSA-N

分子式:C43H58N4O10S2
分子量:855.08
氢键供体数 (HBD):1
氢键受体数 (HBA):10
LogP:3.5020142
SMILES:CCN(CC)CC.CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:8|
SMILES:CCN(CC)CC.CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:8|

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