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  3. HIT217706055
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HIT217706055
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HIT217706055
  • HIT ID:HIT217706055
  • Cas No:103476-19-3
  • 常用名:trilithium(1+) (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[({[(3R)-3-[(2-{[2-(hexanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl phosphate
    常用名:trilithium(1+) (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[({[(3R)-3-[(2-{[2-(hexanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl phosphate
  • IUPAC:trilithium(1+) (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3R)-3-[(2-{[2-(hexanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl phosphate
    IUPAC:trilithium(1+) (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3R)-3-[(2-{[2-(hexanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl phosphate
  • InChI key:FBCJBRMDAWFEFV-GUOUMXCNSA-K
  • 分子式:C27H43Li3N7O17P3S
  • 分子量:883.47
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Li+].[Li+].[Li+].CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
    SMILES:[Li+].[Li+].[Li+].CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
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