Chem
J-GLOBAL ID:200907001618521288   Nikkaji number:J1.076.701F

2′-[[(5′-Thymidyl)carbamoyl]methyl]-5′-O-(4,4′-dimethoxytrityl)-2′,3′-dideoxyuridine

2′-[[(5′-チミジル)カルバモイル]メチル]-5′-O-(4,4′-ジメトキシトリチル)-2′,3′-ジデオキシウリジン
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: C42H45N5O11
Molecular formula furigana: C42-H45-N5-O11
Molecular weight: 795.846
InChI: InChI=1S/C42H45N5O11/c1-25-23-47(41(53)45-38(25)51)37-21-33(48)34(58-37)22-43-36(50)20-26-19-32(57-39(26)46-18-17-35(49)44-40(46)52)24-56-42(27-7-5-4-6-8-27,28-9-13-30(54-2)14-10-28)29-11-15-31(55-3)16-12-29/h4-18,23,26,32-34,37,39,48H,19-22,24H2,1-3H3,(H,43,50)(H,44,49,52)(H,45,51,53)/t26-,32-,33-,34+,37+,39+/m0/s1
InChI key: STEMQQCWCBDZDE-LDOZWTKPSA-N
SMILES: COc1ccc(cc1)C(OC[C@@H]1C[C@@H](CC(=O)NC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@@H](O1)n1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3):
  • 2′-[[(5′-チミジル)カルバモイル]メチル]-5′-O-(4,4′-ジメトキシトリチル)-2′,3′-ジデオキシウリジン
  • 2-[(2R,3S,5S)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-2-(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]-N-{[(2R,3S,5R)-3-ヒドロキシ-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]メチル}アセトアミド
  • 2-[(2R,3S,5S)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]-N-{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl}acetamide
Other name (1):
  • 2′-[[(5′-Thymidyl)carbamoyl]methyl]-5′-O-(4,4′-dimethoxytrityl)-2′,3′-dideoxyuridine
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