Name: Cy7.5 NHS ester
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218847785
Cas No:2708152-94-5
常用名:Cy7.5 NHS ester
IUPAC:3-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-1,1-dimethyl-2-[(1E)-2-[(3E)-3-{2-[(2Z)-1,1,3-trimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1H-benzo[e]indol-3-ium; tetrafluoroboranuide
IUPAC:3-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-1,1-dimethyl-2-[(1E)-2-[(3E)-3-{2-[(2Z)-1,1,3-trimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl]ethenyl]-1H-benzo[e]indol-3-ium; tetrafluoroboranuide
InChI key:OIMQPLDYWMKRKA-UHFFFAOYSA-N

分子式:C49H52BF4N3O4
分子量:833.78
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:F[B-](F)(F)F.CN1\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCCC(=O)ON4C(=O)CCC4=O)c4ccc5ccccc5c4C3(C)C)=C2)C(C)(C)c2c1ccc1ccccc21
SMILES:F[B-](F)(F)F.CN1\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCCC(=O)ON4C(=O)CCC4=O)c4ccc5ccccc5c4C3(C)C)=C2)C(C)(C)c2c1ccc1ccccc21

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