Name: IRDye 680RD, NHS ester
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251310
Cas No:1373919-87-9
常用名:IRDye 680RD, NHS ester
IUPAC:disodium 5-chloro-2-{5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)-2,3-dihydro-1H-indol-2-ylidene]-3-(3-{3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenyl)penta-1,3-dien-1-yl}-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium
IUPAC:disodium 5-chloro-2-{5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)-2,3-dihydro-1H-indol-2-ylidene]-3-(3-{3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenyl)penta-1,3-dien-1-yl}-3,3-dimethyl-7-(3-sulfonatopropyl)-3H-pyrrolo[2,3-b]pyridin-7-ium
InChI key:JNFTWCVWRDPJNM-UHFFFAOYSA-L

分子式:C43H45ClN4Na2O13S3
分子量:1003.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].CC1(C)C(C=CC(=CC=C2N(CCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)c2cccc(CCC(=O)ON3C(=O)CCC3=O)c2)=Nc2c1cc(Cl)c[n+]2CCCS([O-])(=O)=O
SMILES:[Na+].[Na+].CC1(C)C(C=CC(=CC=C2N(CCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)c2cccc(CCC(=O)ON3C(=O)CCC3=O)c2)=Nc2c1cc(Cl)c[n+]2CCCS([O-])(=O)=O

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