Chem
J-GLOBAL ID：200907047833764922
Nikkaji number：J305.318K
1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-octadecylthio-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-オクタデシルチオ-2-ヘキサデカノイルオキシプロピル)
Substance type
Substance type 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
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
Molecular formula： C46H87N3O13P2S
Molecular formula furigana： C46-H87-N3-O13-P2-S
Molecular weight： 984.220
InChI：
InChI=1S/C46H87N3O13P2S/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35-65-38-39(60-42(50)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)36-58-64(57,62-63(54,55)56)59-37-40-43(51)44(52)45(61-40)49-34-33-41(47)48-46(49)53/h33-34,39-40,43-45,51-52H,3-32,35-38H2,1-2H3,(H2,47,48,53)(H2,54,55,56)/t39?,40-,43-,44+,45-,64?/m1/s1
InChI key：
MRUIEOILCTUAOQ-RUIMLMALSA-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(=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-オクタデシルチオ-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-(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-(hexadecanoyloxy)-3-(octadecylsulfanyl)propoxy]phosphoryl)oxy]phosphonic acid
- 1-(Cytosin-1-yl)-1-deoxy-β-D-arabinofuranose 5-diphosphoric acid P1-(3-octadecylthio-2-hexadecanoyloxypropyl) ester
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