Chem
J-GLOBAL ID：200907040006085530   Nikkaji number：J651.177E

β-Methylene TAD

β-メチレンTAD
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： C20H27N7O13P2S
Molecular formula furigana： C20-H27-N7-O13-P2-S
Molecular weight： 667.480
InChI： InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
InChI key： CRWWKLKZKYLFQV-HVIRUEHBSA-N
SMILES： NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Systematic name  (7)：
  • 2-[5-O-[(5′-アデニリルメチル)ヒドロキシホスフィニル]-β-D-リボフラノシル]チアゾール-4-カルボアミド
  • 2-[5-O-[(5′-アデニリルメチル)ホスホニル]-β-D-リボフラノシル]チアゾール-4-カルボアミド
  • [α,β-メチレン]二りん酸α-(5′-アデノシル)β-[[[(2R)-5α-[4-(アミノカルボニル)チアゾール-2-イル]テトラヒドロ-3β,4β-ジヒドロキシフラン]-2α-イル]メチル]
  • 2-[5-O-(5′-アデニリルメチルホスホニル)-β-D-リボフラノシル]チアゾール-4-カルボアミド
  • アデノシン5′-[[[1-(4-カルバモイル-2-チアゾリル)-1,5-ジデオキシ-β-D-リボフラノース]-5-イルホスホノメチル]ホスホン酸]
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Other name (6)：
  • 2-[5-O-[(5′-Adenylylmethyl)phosphonyl]-β-D-ribofuranosyl]thiazole-4-carboxamide
  • [α,β-Methylene]diphosphoric acid α-(5′-adenosyl)β-[[[(2R)-5α-[4-(aminocarbonyl)thiazole-2-yl]tetrahydro-3β,4β-dihydroxyfuran]-2α-yl]methyl] ester
  • 2-[5-O-(5′-Adenylylmethylphosphonyl)-β-D-ribofuranosyl]thiazole-4-carboxamide
  • β-メチレンTAD
  • β-Methylene TAD
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