Chem
J-GLOBAL ID：200907025781340157   Nikkaji number：J1.705.311F

4-Methyl-5-methoxy-6-[2-(5′-adenylylmethylphosphonyloxy)ethyl]-7-hydroxyisobenzofuran-1(3H)-one

4-メチル-5-メトキシ-6-[2-(5′-アデニリルメチルホスホニルオキシ)エチル]-7-ヒドロキシイソベンゾフラン-1(3H)-オン
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： C23H29N5O13P2
Molecular formula furigana： C23-H29-N5-O13-P2
Molecular weight： 645.455
InChI： InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1
InChI key： AMYUZLUBFKOUEX-JKWAKEATSA-N
SMILES： COc1c(C)c2COC(=O)c2c(O)c1CCOP(=O)(O)CP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name  (4)：
  • アデノシン5′-[[[2-(1-オキソ-4-メチル-5-メトキシ-7-ヒドロキシ-1,3-ジヒドロイソベンゾフラン-6-イル)エチル]ホスホノメチル]ホスホン酸]
  • 4-メチル-5-メトキシ-6-[2-(5′-アデニリルメチルホスホニルオキシ)エチル]-7-ヒドロキシイソベンゾフラン-1(3H)-オン
  • [({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)メチル][2-(4-ヒドロキシ-6-メトキシ-7-メチル-3-オキソ-1,3-ジヒドロ-2-ベンゾフラン-5-イル)エトキシ]ホスフィン酸
  • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl][2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphinic acid
Other name (2)：
  • Adenosine 5′-[[[2-(1-oxo-4-methyl-5-methoxy-7-hydroxy-1,3-dihydroisobenzofuran-6-yl)ethyl]phosphonomethyl]phosphonic acid]
  • 4-Methyl-5-methoxy-6-[2-(5′-adenylylmethylphosphonyloxy)ethyl]-7-hydroxyisobenzofuran-1(3H)-one
Thsaurus map：
Thesaurus Map

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