Chem
J-GLOBAL ID：200907054830842554   Nikkaji number：J2.154.882K

[[α,β-Methylene]diphosphoric acid α-(5′-deoxyadenosine-5′-yl)]trianion

[[α,β-メチレン]二りん酸α-(5′-デオキシアデノシン-5′-イル)]トリアニオン
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： C11H14N5O6[O-]3P2
Molecular formula furigana： C11-H14-N5-O9-P2
Molecular weight： 422.208
InChI： InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/p-3/t5-,7-,8-,11-/m1/s1
InChI key： OLCWZBFDIYXLAA-IOSLPCCCSA-K
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]1O
Systematic name  (3)：
  • [[α,β-メチレン]二りん酸α-(5′-デオキシアデノシン-5′-イル)]トリアニオン
  • [(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]メチル (ホスホナトメチル)ホスホナート
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (phosphonatomethyl)phosphonate
Other name (1)：
  • [[α,β-Methylene]diphosphoric acid α-(5′-deoxyadenosine-5′-yl)]trianion
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