Name: Cy5-dATP
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219152518
Cas No:
常用名:Cy5-dATP
IUPAC:1-{5-[(3-{4-amino-7-[(2R,5R)-4-hydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}prop-2-yn-1-yl)carbamoyl]pentyl}-2-[(1E,3E)-5-[(2Z)-1-ethyl-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium
IUPAC:1-{5-[(3-{4-amino-7-[(2R,5R)-4-hydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}prop-2-yn-1-yl)carbamoyl]pentyl}-2-[(1E,3E)-5-[(2Z)-1-ethyl-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium
InChI key:HWQYBVUJCWEIJH-ILIRATKSSA-N

分子式:C47H58N7O19P3S2
分子量:1182.05
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN1\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCC#Cc3cn([C@H]4CC(O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)c4ncnc(N)c34)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
SMILES:CCN1\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCC#Cc3cn([C@H]4CC(O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)c4ncnc(N)c34)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

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