Chem
J-GLOBAL ID:200907027031224450   Nikkaji number:J1.177.497K

2′α-(2-Methoxyethoxy)-3′-O-[diisopropylamino[2-(pivaloylthio)ethoxy]phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine

2′α-(2-メトキシエトキシ)-3′-O-[ジイソプロピルアミノ[2-(ピバロイルチオ)エトキシ]ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)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: C47H64N3O11PS
Molecular formula furigana: C47-H64-N3-O11-P-S
Molecular weight: 910.070
InChI: InChI=1S/C47H64N3O11PS/c1-31(2)50(32(3)4)62(59-27-28-63-44(52)46(6,7)8)61-40-39(60-43(41(40)57-26-25-54-9)49-29-33(5)42(51)48-45(49)53)30-58-47(34-15-13-12-14-16-34,35-17-21-37(55-10)22-18-35)36-19-23-38(56-11)24-20-36/h12-24,29,31-32,39-41,43H,25-28,30H2,1-11H3,(H,48,51,53)/t39-,40-,41-,43-,62?/m1/s1
InChI key: VINLAHIIQQDODE-MTMUKSCCSA-N
SMILES: COCCO[C@@H]1[C@H](OP(OCCSC(=O)C(C)(C)C)N(C(C)C)C(C)C)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Systematic name  (3):
  • 2′α-(2-メトキシエトキシ)-3′-O-[ジイソプロピルアミノ[2-(ピバロイルチオ)エトキシ]ホスフィノ]-5′-O-(4,4′-ジメトキシトリチル)チミジン
  • 1-[(2R,3R,4R,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-3-(2-メトキシエトキシ)-4-{[2,10,10-トリメチル-9-オキソ-3-(プロパン-2-イル)-5-オキサ-8-チア-3-アザ-4-ホスファウンデカン-4-イル]オキシ}オキソラン-2-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-[(2R,3R,4R,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-(2-methoxyethoxy)-4-{[2,10,10-trimethyl-9-oxo-3-(propan-2-yl)-5-oxa-8-thia-3-aza-4-phosphaundecan-4-yl]oxy}oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 2′α-(2-Methoxyethoxy)-3′-O-[diisopropylamino[2-(pivaloylthio)ethoxy]phosphino]-5′-O-(4,4′-dimethoxytrityl)thymidine
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