Chem
J-GLOBAL ID:200907018252154902   Nikkaji number:J1.710.855G

2′,4′-(Epoxymethano)-5′-C-[[2-(3′-thymidyloxy)ethyl]amino]-5′-oxo-5′-deoxythymidine

2′,4′-(エポキシメタノ)-5′-C-[[2-(3′-チミジルオキシ)エチル]アミノ]-5′-オキソ-5′-デオキシチミジン
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: C23H29N5O11
Molecular formula furigana: C23-H29-N5-O11
Molecular weight: 551.509
InChI: InChI=1S/C23H29N5O11/c1-10-6-27(21(34)25-17(10)31)14-5-12(13(8-29)38-14)36-4-3-24-20(33)23-9-37-15(16(23)30)19(39-23)28-7-11(2)18(32)26-22(28)35/h6-7,12-16,19,29-30H,3-5,8-9H2,1-2H3,(H,24,33)(H,25,31,34)(H,26,32,35)/t12-,13+,14+,15?,16-,19+,23-/m0/s1
InChI key: OAWJGTSELLIOGO-JJNMCXGRSA-N
SMILES: Cc1cn([C@H]2C[C@H](OCCNC(=O)[C@]34COC([C@@H]3O)[C@@H](O4)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O
Systematic name  (3):
  • 2′,4′-(エポキシメタノ)-5′-C-[[2-(3′-チミジルオキシ)エチル]アミノ]-5′-オキソ-5′-デオキシチミジン
  • (1S,3R,7S)-7-ヒドロキシ-N-(2-{[(2R,3S,5R)-2-(ヒドロキシメチル)-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}エチル)-3-(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)-2,5-ジオキサビシクロ[2.2.1]ヘプタン-1-カルボキサミド
  • (1S,3R,7S)-7-hydroxy-N-(2-{[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}ethyl)-3-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptane-1-carboxamide
Other name (1):
  • 2′,4′-(Epoxymethano)-5′-C-[[2-(3′-thymidyloxy)ethyl]amino]-5′-oxo-5′-deoxythymidine
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