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HIT219422879
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HIT219422879
  • HIT ID:HIT219422879
  • Cas No:285978-18-9
  • 常用名:sodium 1-[(2R,3R,4S,5R)-5-[({[hydrogen phosphonatooxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)(13C)methyl]-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)-3H-pyrimidine-2,4-dione
    常用名:sodium 1-[(2R,3R,4S,5R)-5-[({[hydrogen phosphonatooxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)(13C)methyl]-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)-3H-pyrimidine-2,4-dione
  • IUPAC:sodium 1-[(2R,3R,4S,5R)-5-{[({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](13C)methyl}-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl]-1,2,3,4-tetrahydro(2,4,5,6-13C4,1,3-15N2)pyrimidine-2,4-dione
    IUPAC:sodium 1-[(2R,3R,4S,5R)-5-{[({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](13C)methyl}-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl]-1,2,3,4-tetrahydro(2,4,5,6-13C4,1,3-15N2)pyrimidine-2,4-dione
  • InChI key:HMKYBTOYVCUYCB-SMRAOGOLSA-M
  • 分子式:C9H14N2NaO15P3
  • 分子量:517.038
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na+].O[13C@H]1[13C@@H](O)[13C@@H](O[13C@@H]1[13CH2]OP(O)(=O)OP(O)(=O)OP(O)([O-])=O)[15n]1[13cH][13cH][13c](=O)[15nH][13c]1=O
    SMILES:[Na+].O[13C@H]1[13C@@H](O)[13C@@H](O[13C@@H]1[13CH2]OP(O)(=O)OP(O)(=O)OP(O)([O-])=O)[15n]1[13cH][13cH][13c](=O)[15nH][13c]1=O
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