Name: ADU-S100 ammonium salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314639
Cas No:1638750-96-5
常用名:ADU-S100 ammonium salt
IUPAC:(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-9,18-dihydroxy-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione diamine
IUPAC:(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-9,18-dihydroxy-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-3,12-dione diamine
InChI key:VZYXAGGQHVUTHM-QYUKNOIISA-N

分子式:C20H30N12O10P2S2
分子量:724.6
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:N.N.[H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](O)[C@@]([H])(O[C@]3([H])COP(S)(=O)O[C@]([H])([C@@H]1O)[C@@]([H])(O2)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12
SMILES:N.N.[H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](O)[C@@]([H])(O[C@]3([H])COP(S)(=O)O[C@]([H])([C@@H]1O)[C@@]([H])(O2)n1cnc2c(N)ncnc12)n1cnc2c(N)ncnc12

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