Chem
J-GLOBAL ID:201207085178168399   Nikkaji number:J2.998.947H

9-[β-D-Ribofuranosyl]-6-methoxy-2-[3-(nitrooxy)propyloxy]-9H-purine

9-[β-D-リボフラノシル]-6-メトキシ-2-[3-(ニトロオキシ)プロピルオキシ]-9H-プリン
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: C14H19N4[N+]O8[O-]
Molecular formula furigana: C14-H19-N5-O9
Molecular weight: 401.332
InChI: InChI=1S/C14H19N5O9/c1-25-12-8-11(16-14(17-12)26-3-2-4-27-19(23)24)18(6-15-8)13-10(22)9(21)7(5-20)28-13/h6-7,9-10,13,20-22H,2-5H2,1H3/t7-,9-,10-,13-/m1/s1
InChI key: HZDLBUWQIMZLPO-QYVSTXNMSA-N
SMILES: COc1nc(OCCCO[N+](=O)[O-])nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 9-[β-D-リボフラノシル]-6-メトキシ-2-[3-(ニトロオキシ)プロピルオキシ]-9H-プリン
  • 3-({9-[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-6-メトキシ-9H-プリン-2-イル}オキシ)プロピル ニトラート
  • 3-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-9H-purin-2-yl}oxy)propyl nitrate
Other name (1):
  • 9-[β-D-Ribofuranosyl]-6-methoxy-2-[3-(nitrooxy)propyloxy]-9H-purine
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