Chem
J-GLOBAL ID：200907028049606089   Nikkaji number：J305.321K

1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-octadecylthio-2-hexadecyloxypropyl) 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-ヘキサデシルオキシプロピル)
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： C46H89N3O12P2S
Molecular formula furigana： C46-H89-N3-O12-P2-S
Molecular weight： 970.230
InChI： InChI=1S/C46H89N3O12P2S/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-64-39-40(57-35-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)37-58-63(56,61-62(53,54)55)59-38-41-43(50)44(51)45(60-41)49-34-33-42(47)48-46(49)52/h33-34,40-41,43-45,50-51H,3-32,35-39H2,1-2H3,(H2,47,48,52)(H2,53,54,55)/t40?,41-,43-,44+,45-,63?/m1/s1
InChI key： KRTAEYUJGVAJEP-JXVFGZHDSA-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)OCCCCCCCCCCCCCCCC
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-ヘキサデシルオキシプロピル)
  • [({[(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-(ヘキサデシルオキシ)-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-(hexadecyloxy)-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-hexadecyloxypropyl) ester
Thsaurus map：
Thesaurus Map

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