Name: 7-(deoxyadenosin-N(6)-yl)aristolactam I
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212658871
Cas No:127191-86-0
常用名:7-(deoxyadenosin-N(6)-yl)aristolactam I
常用名:7-(deoxyadenosin-N(6)-yl)aristolactam I
别名:马兜铃内酰胺 A
IUPAC:12-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.0^{2,6}.0^{8,19}.0^{13,18}]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
IUPAC:12-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.0^{2,6}.0^{8,19}.0^{13,18}]nonadeca-1(19),2(6),7,11,13(18),14,16-heptaen-9-one
InChI key:XHHBEDPFSNICRL-IAOVAPTHSA-N

分子式:C27H22N6O7
分子量:542.508
氢键供体数 (HBD):4
氢键受体数 (HBA):11
LogP:1.6416806
SMILES:COc1cccc2c3c4OCOc4cc4C(=O)Nc(c(Nc5ncnc6n(cnc56)[C@H]5C[C@H](O)[C@@H](CO)O5)c12)c34
SMILES:COc1cccc2c3c4OCOc4cc4C(=O)Nc(c(Nc5ncnc6n(cnc56)[C@H]5C[C@H](O)[C@@H](CO)O5)c12)c34

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