Chem
J-GLOBAL ID:200907050651740603   Nikkaji number:J1.261.593K

1-(2-O,3-O-Isopropylidene-4-O-carba-1-deoxy-β-D-ribofuranose-1-yl)-1,6-dihydro-6,N-didehydro-2′-O,3′-O-isopropylidene-5′-O-(tert-butyldimethylsilyl)adenosine

1-(2-O,3-O-イソプロピリデン-4-O-カルバ-1-デオキシ-β-D-リボフラノース-1-イル)-1,6-ジヒドロ-6,N-ジデヒドロ-2′-O,3′-O-イソプロピリデン-5′-O-(tert-ブチルジメチルシリル)アデノシン
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: C28H45N5O7Si
Molecular formula furigana: C28-H45-N5-O7-SI
Molecular weight: 591.781
InChI: InChI=1S/C28H45N5O7Si/c1-26(2,3)41(8,9)35-12-17-21-22(40-28(6,7)39-21)25(36-17)33-13-30-18-23(29)32(14-31-24(18)33)16-10-15(11-34)19-20(16)38-27(4,5)37-19/h13-17,19-22,25,29,34H,10-12H2,1-9H3/t15-,16-,17-,19-,20+,21-,22-,25-/m1/s1
InChI key: XHJFDWXVQXXSPZ-BMVLIORBSA-N
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1cnc2c1ncn([C@@H]1C[C@H](CO)[C@H]3OC(C)(C)O[C@@H]13)c2=N
Systematic name  (4):
  • 1-(2-O,3-O-イソプロピリデン-4-O-カルバ-1-デオキシ-β-D-リボフラノース-1-イル)-1,6-ジヒドロ-6,N-ジデヒドロ-2′-O,3′-O-イソプロピリデン-5′-O-(tert-ブチルジメチルシリル)アデノシン
  • 1-(2-O,3-O-イソプロピリデン-1-デオキシ-4-O-カルバ-β-D-リボフラノース-1-イル)-9-[2-O,3-O-イソプロピリデン-5-O-(tert-ブチルジメチルシリル)-β-D-リボフラノシル]-1,6-ジヒドロ-9H-プリン-6-イミン
  • [(3aR,4R,6R,6aS)-6-{9-[(3aR,4R,6R,6aR)-6-{[(tert-ブチルジメチルシリル)オキシ]メチル}-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]-6-イミノ-6,9-ジヒドロ-1H-プリン-1-イル}-2,2-ジメチル-ヘキサヒドロシクロペンタ[d][1,3]ジオキソール-4-イル]メタノール
  • [(3aR,4R,6R,6aS)-6-{9-[(3aR,4R,6R,6aR)-6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-6-imino-6,9-dihydro-1H-purin-1-yl}-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]methanol
Other name (2):
  • 1-(2-O,3-O-Isopropylidene-4-O-carba-1-deoxy-β-D-ribofuranose-1-yl)-1,6-dihydro-6,N-didehydro-2′-O,3′-O-isopropylidene-5′-O-(tert-butyldimethylsilyl)adenosine
  • 1-(2-O,3-O-Isopropylidene-1-deoxy-4-O-carba-β-D-ribofuranose-1-yl)-9-[2-O,3-O-isopropylidene-5-O-(tert-butyldimethylsilyl)-β-D-ribofuranosyl]-1,6-dihydro-9H-purine-6-imine
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