Chem
J-GLOBAL ID：200907036030254320   Nikkaji number：J1.911.724C

3′-O,5′-O-[[(Diisopropylamino)phosphinediyl]oxy(1,1-dimethylethylene)sulfonylmethylene(m-phenylene)[bis(4-methoxyphenyl)methylene]]thymidine

3′-O,5′-O-[[(ジイソプロピルアミノ)ホスフィンジイル]オキシ(1,1-ジメチルエチレン)スルホニルメチレン(m-フェニレン)[ビス(4-メトキシフェニル)メチレン]]チミジン
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： C42H54N3O10PS
Molecular formula furigana： C42-H54-N3-O10-P-S
Molecular weight： 823.940
InChI： InChI=1S/C42H54N3O10PS/c1-27(2)45(28(3)4)56-54-36-22-38(44-23-29(5)39(46)43-40(44)47)53-37(36)24-52-42(31-13-17-34(50-8)18-14-31,32-15-19-35(51-9)20-16-32)33-12-10-11-30(21-33)25-57(48,49)26-41(6,7)55-56/h10-21,23,27-28,36-38H,22,24-26H2,1-9H3,(H,43,46,47)/t36-,37+,38+,56?/m0/s1
InChI key： AWDKNQIXZCWTGU-GHFFOPBTSA-N
SMILES： COc1ccc(cc1)C1(OC[C@H]2O[C@H](C[C@@H]2OP(OC(C)(C)CS(=O)(=O)Cc2cccc1c2)N(C(C)C)C(C)C)n1cc(C)c(=O)[nH]c1=O)c1ccc(OC)cc1
Systematic name  (3)：
  • 3′-O,5′-O-[[(ジイソプロピルアミノ)ホスフィンジイル]オキシ(1,1-ジメチルエチレン)スルホニルメチレン(m-フェニレン)[ビス(4-メトキシフェニル)メチレン]]チミジン
  • 1-[(5R,7R,9S)-11-[ビス(プロパン-2-イル)アミノ]-2,2-ビス(4-メトキシフェニル)-13,13-ジメチル-15,15-ジオキソ-3,6,10,12-テトラオキサ-15λ6-チア-11-ホスファトリシクロ[15.3.1.05,9]ヘンイコサ-1(21),17,19-トリエン-7-イル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(5R,7R,9S)-11-[bis(propan-2-yl)amino]-2,2-bis(4-methoxyphenyl)-13,13-dimethyl-15,15-dioxo-3,6,10,12-tetraoxa-15λ6-thia-11-phosphatricyclo[15.3.1.05,9]henicosa-1(21),17,19-trien-7-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 3′-O,5′-O-[[(Diisopropylamino)phosphinediyl]oxy(1,1-dimethylethylene)sulfonylmethylene(m-phenylene)[bis(4-methoxyphenyl)methylene]]thymidine
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