Chem
J-GLOBAL ID：200907049030822519   Nikkaji number：J1.463.974H

5′-Adenylic acid propyl ester

5′-アデニル酸プロピル
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： C13H20N5O7P
Molecular formula furigana： C13-H20-N5-O7-P
Molecular weight： 389.305
InChI： InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
InChI key： XAMXMSZRQHPMRX-QYVSTXNMSA-N
SMILES： CCCOP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name  (3)：
  • 5′-アデニル酸プロピル
  • {[(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}(プロポキシ)ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propoxy)phosphinic acid
Other name (1)：
  • 5′-Adenylic acid propyl ester
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