Chem
J-GLOBAL ID：200907050070701950   Nikkaji number：J305.317B

1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-hexadecylthio-2-hexadecanoyloxypropyl) 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-ヘキサデシルチオ-2-ヘキサデカノイルオキシプロピル)
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： C44H83N3O13P2S
Molecular formula furigana： C44-H83-N3-O13-P2-S
Molecular weight： 956.160
InChI： InChI=1S/C44H83N3O13P2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-63-36-37(58-40(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-56-62(55,60-61(52,53)54)57-35-38-41(49)42(50)43(59-38)47-32-31-39(45)46-44(47)51/h31-32,37-38,41-43,49-50H,3-30,33-36H2,1-2H3,(H2,45,46,51)(H2,52,53,54)/t37?,38-,41-,42+,43-,62?/m1/s1
InChI key： OIVOQGFARNIURM-NQGFSFMASA-N
SMILES： CCCCCCCCCCCCCCCCSCC(COP(=O)(OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1ccc(N)nc1=O)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
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-ヘキサデシルチオ-2-ヘキサデカノイルオキシプロピル)
  • [({[(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-(ヘキサデカノイルオキシ)-3-(ヘキサ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-(hexadecanoyloxy)-3-(hexadecylsulfanyl)propoxy]phosphoryl)oxy]phosphonic acid
Other name (1)：
  • 1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-hexadecylthio-2-hexadecanoyloxypropyl) ester
Thsaurus map：
Thesaurus Map

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