Chem
J-GLOBAL ID：200907022667200303   Nikkaji number：J305.320B

1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-octadecylthio-2-ethoxypropyl) ester

1-(シトシン-1-イル)-1-デオキシ-β-D-アラビノフラノース5-二りん酸P1-(3-オクタデシルチオ-2-エトキシプロピル)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H61N3O12P2S
Molecular formula furigana： C32-H61-N3-O12-P2-S
Molecular weight： 773.860
InChI： InChI=1S/C32H61N3O12P2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-50-25-26(43-4-2)23-44-49(42,47-48(39,40)41)45-24-27-29(36)30(37)31(46-27)35-21-20-28(33)34-32(35)38/h20-21,26-27,29-31,36-37H,3-19,22-25H2,1-2H3,(H2,33,34,38)(H2,39,40,41)/t26?,27-,29-,30+,31-,49?/m1/s1
InChI key： UQXHXETYKALIME-ZONKISMSSA-N
SMILES： CCCCCCCCCCCCCCCCCCSCC(COP(=O)(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O)OP(=O)(O)O)OCC
Systematic name  (3)：
  • 1-(シトシン-1-イル)-1-デオキシ-β-D-アラビノフラノース5-二りん酸P1-(3-オクタデシルチオ-2-エトキシプロピル)
  • [({[(2R,3S,4S,5R)-5-(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}[2-エトキシ-3-(オクタデシルスルファニル)プロポキシ]ホスホリル)オキシ]ホスホン酸
  • [({[(2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[2-ethoxy-3-(octadecylsulfanyl)propoxy]phosphoryl)oxy]phosphonic acid
Other name (1)：
  • 1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-octadecylthio-2-ethoxypropyl) ester
Thsaurus map：
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