Chem
J-GLOBAL ID：200907021569085672   Nikkaji number：J1.911.725A

3′-O,5′-O-[[(Diisopropylamino)phosphinediyl]oxyethylenesulfonylmethylene(p-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]オキシエチレンスルホニルメチレン(p-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： C40H50N3O10PS
Molecular formula furigana： C40-H50-N3-O10-P-S
Molecular weight： 795.880
InChI： InChI=1S/C40H50N3O10PS/c1-26(2)43(27(3)4)54-51-20-21-55(46,47)25-29-8-10-30(11-9-29)40(31-12-16-33(48-6)17-13-31,32-14-18-34(49-7)19-15-32)50-24-36-35(53-54)22-37(52-36)42-23-28(5)38(44)41-39(42)45/h8-19,23,26-27,35-37H,20-22,24-25H2,1-7H3,(H,41,44,45)/t35-,36+,37+,54?/m0/s1
InChI key： PWCMKEAHEQWJIH-JYQXRUAGSA-N
SMILES： COc1ccc(cc1)C1(OC[C@H]2O[C@H](C[C@@H]2OP(OCCS(=O)(=O)Cc2ccc1cc2)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]オキシエチレンスルホニルメチレン(p-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)-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[15.2.2.05,9]ヘンイコサ-1(19),17,20-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)-15,15-dioxo-3,6,10,12-tetraoxa-15λ6-thia-11-phosphatricyclo[15.2.2.05,9]henicosa-1(19),17,20-trien-7-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 3′-O,5′-O-[[(Diisopropylamino)phosphinediyl]oxyethylenesulfonylmethylene(p-phenylene)[bis(4-methoxyphenyl)methylene]]thymidine
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