Chem
J-GLOBAL ID：200907005830551176   Nikkaji number：J305.319I

1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-octadecylthio-2-methoxypropyl) 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-メトキシプロピル)
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： C31H59N3O12P2S
Molecular formula furigana： C31-H59-N3-O12-P2-S
Molecular weight： 759.830
InChI： InChI=1S/C31H59N3O12P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-49-24-25(42-2)22-43-48(41,46-47(38,39)40)44-23-26-28(35)29(36)30(45-26)34-20-19-27(32)33-31(34)37/h19-20,25-26,28-30,35-36H,3-18,21-24H2,1-2H3,(H2,32,33,37)(H2,38,39,40)/t25?,26-,28-,29+,30-,48?/m1/s1
InChI key： NGIDMGVOZUBZBW-OYPPPBJFSA-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)OC
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-メトキシプロピル)
  • [({[(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-メトキシ-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-methoxy-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-methoxypropyl) ester
Thsaurus map：
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