Chem
J-GLOBAL ID:200907049428667360   Nikkaji number:J1.863.531C

[3′-O-Acetyl-5′-thymidyloxy[5′-O-(4,4′-dimethoxytrityl)-3′-thymidyloxy]phosphino]acetic acid 1,1-dimethyl-2-cyanoethyl ester

[3′-O-アセチル-5′-チミジルオキシ[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジルオキシ]ホスフィノ]酢酸1,1-ジメチル-2-シアノエチル
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: C50H56N5O15P
Molecular formula furigana: C50-H56-N5-O15-P
Molecular weight: 997.992
InChI: InChI=1S/C50H56N5O15P/c1-30-25-54(47(60)52-45(30)58)42-23-38(66-32(3)56)41(68-42)28-65-71(29-44(57)69-49(4,5)21-22-51)70-39-24-43(55-26-31(2)46(59)53-48(55)61)67-40(39)27-64-50(33-11-9-8-10-12-33,34-13-17-36(62-6)18-14-34)35-15-19-37(63-7)20-16-35/h8-20,25-26,38-43H,21,23-24,27-29H2,1-7H3,(H,52,58,60)(H,53,59,61)/t38-,39-,40+,41+,42+,43+,71?/m0/s1
InChI key: UITMUOQNKCEZKS-WTIZBYCYSA-N
SMILES: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(CC(=O)OC(C)(C)CC#N)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n1cc(C)c(=O)[nH]c1=O)n1cc(C)c(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • [3′-O-アセチル-5′-チミジルオキシ[5′-O-(4,4′-ジメトキシトリチル)-3′-チミジルオキシ]ホスフィノ]酢酸1,1-ジメチル-2-シアノエチル
  • 1-シアノ-2-メチルプロパン-2-イル 2-({[(2R,3S,5R)-3-(アセチルオキシ)-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-2-イル]メトキシ}({[(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})ホスファニル)アセタート
  • 1-cyano-2-methylpropan-2-yl 2-({[(2R,3S,5R)-3-(acetyloxy)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(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})phosphanyl)acetate
Other name (1):
  • [3′-O-Acetyl-5′-thymidyloxy[5′-O-(4,4′-dimethoxytrityl)-3′-thymidyloxy]phosphino]acetic acid 1,1-dimethyl-2-cyanoethyl ester
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