Chem
J-GLOBAL ID：200907014328098572   Nikkaji number：J634.561A

Adenosine 5′-diphosphoric acid β-[(3β,4β-dihydroxypyrrolidin-2α-yl)methyl] ester

アデノシン5′-二りん酸β-[(3β,4β-ジヒドロキシピロリジン-2α-イル)メチル]
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： C15H24N6O12P2
Molecular formula furigana： C15-H24-N6-O12-P2
Molecular weight： 542.335
InChI： InChI=1S/C15H24N6O12P2/c16-13-9-14(19-4-18-13)21(5-20-9)15-12(25)11(24)8(32-15)3-31-35(28,29)33-34(26,27)30-2-6-10(23)7(22)1-17-6/h4-8,10-12,15,17,22-25H,1-3H2,(H,26,27)(H,28,29)(H2,16,18,19)/t6-,7+,8-,10-,11-,12-,15-/m1/s1
InChI key： NDQDTBCXPOIQGT-UHNJQBFTSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • アデノシン5′-二りん酸β-[(3β,4β-ジヒドロキシピロリジン-2α-イル)メチル]
  • {[(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}[({[(2R,3R,4S)-3,4-ジヒドロキシピロリジン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
Other name (1)：
  • Adenosine 5′-diphosphoric acid β-[(3β,4β-dihydroxypyrrolidin-2α-yl)methyl] ester
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