Name: CL656
Rating: 5 (10 reviews)

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HIT ID:HIT212671825
Cas No:1951464-79-1
常用名:CL656
别名:c-[2'FdAMP(S)-2'FdIMP(S)]
IUPAC:(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-9,18-difluoro-17-(6-oxo-6,9-dihydro-3H-purin-9-yl)-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-3,12-dione
IUPAC:(1R,6R,8R,9R,10R,15R,17R,18R)-8-(6-amino-9H-purin-9-yl)-9,18-difluoro-17-(6-oxo-6,9-dihydro-3H-purin-9-yl)-3,12-disulfanyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.0^{6,10}]octadecane-3,12-dione
InChI key:WBEHEZDHRLNQIK-IRYAPSAPSA-N

分子式:C20H21F2N9O9P2S2
分子量:695.51
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:-3.7201853
SMILES:[H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c1[nH]cnc2=O
SMILES:[H][C@@]12COP(S)(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])COP(S)(=O)O[C@@]1([H])[C@@H](F)[C@@H](O2)n1cnc2c(N)ncnc12)n1cnc2c1[nH]cnc2=O

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