Chem
J-GLOBAL ID:200907005055704068   Nikkaji number:J1.370.976I

4-(Dimethylamino)phenylcarbamic acid 2-[[5′-O-(4,4′-dimethoxytrityl)-3′-thymidyloxy](diisopropylamino)phosphinooxy]ethyl ester

4-(ジメチルアミノ)フェニルカルバミド酸2-[[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジルオキシ](ジイソプロピルアミノ)ホスフィノオキシ]エチル
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: C48H60N5O10P
Molecular formula furigana: C48-H60-N5-O10-P
Molecular weight: 898.007
InChI: InChI=1S/C48H60N5O10P/c1-32(2)53(33(3)4)64(61-28-27-59-47(56)49-38-19-21-39(22-20-38)51(6)7)63-42-29-44(52-30-34(5)45(54)50-46(52)55)62-43(42)31-60-48(35-13-11-10-12-14-35,36-15-23-40(57-8)24-16-36)37-17-25-41(58-9)26-18-37/h10-26,30,32-33,42-44H,27-29,31H2,1-9H3,(H,49,56)(H,50,54,55)/t42-,43+,44+,64?/m0/s1
InChI key: ULQYBRGDDKVWCJ-ISEWFCGJSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCOC(=O)Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 4-(ジメチルアミノ)フェニルカルバミド酸2-[[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジルオキシ](ジイソプロピルアミノ)ホスフィノオキシ]エチル
  • 2-[({[(2R,3S,5R)-2-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-3-イル]オキシ}[ビス(プロパン-2-イル)アミノ]ホスファニル)オキシ]エチル N-[4-(ジメチルアミノ)フェニル]カルバマート
  • 2-[({[(2R,3S,5R)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)oxy]ethyl N-[4-(dimethylamino)phenyl]carbamate
Other name (1):
  • 4-(Dimethylamino)phenylcarbamic acid 2-[[5′-O-(4,4′-dimethoxytrityl)-3′-thymidyloxy](diisopropylamino)phosphinooxy]ethyl ester
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