Name: BCECF
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671006
Cas No:85138-49-4
常用名:BCECF
别名:2',7'-Bis(2-carboxyethyl)-5(6)-carboxyfluorescein
别名:2',7'-Bis(2-carboxyethyl)-5(6)-carboxyfluorescein
IUPAC:2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid; 2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
IUPAC:2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid; 2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
InChI key:RZFSVSQVNQXHLI-UHFFFAOYSA-N

分子式:C54H40O22
分子量:1040.892
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:3.7025597
SMILES:OC(=O)CCc1cc2c(Oc3cc(O)c(CCC(O)=O)cc3C22OC(=O)c3cc(ccc23)C(O)=O)cc1O.OC(=O)CCc1cc2c(Oc3cc(O)c(CCC(O)=O)cc3C22OC(=O)c3ccc(cc23)C(O)=O)cc1O
SMILES:OC(=O)CCc1cc2c(Oc3cc(O)c(CCC(O)=O)cc3C22OC(=O)c3cc(ccc23)C(O)=O)cc1O.OC(=O)CCc1cc2c(Oc3cc(O)c(CCC(O)=O)cc3C22OC(=O)c3ccc(cc23)C(O)=O)cc1O

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