Chem
J-GLOBAL ID：201207099668331779   Nikkaji number：J2.998.948F

9-[β-D-Ribofuranosyl]-6-methoxy-2-[5-(nitrooxy)pentyloxy]-9H-purine

9-[β-D-リボフラノシル]-6-メトキシ-2-[5-(ニトロオキシ)ペンチルオキシ]-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： C16H23N4[N+]O8[O-]
Molecular formula furigana： C16-H23-N5-O9
Molecular weight： 429.386
InChI： InChI=1S/C16H23N5O9/c1-27-14-10-13(18-16(19-14)28-5-3-2-4-6-29-21(25)26)20(8-17-10)15-12(24)11(23)9(7-22)30-15/h8-9,11-12,15,22-24H,2-7H2,1H3/t9-,11-,12-,15-/m1/s1
InChI key： IPAYVJNCQPPGAW-SDBHATRESA-N
SMILES： COc1nc(OCCCCCO[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-[5-(ニトロオキシ)ペンチルオキシ]-9H-プリン
  • 5-({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)ペンチル ニトラート
  • 5-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-9H-purin-2-yl}oxy)pentyl nitrate
Other name (1)：
  • 9-[β-D-Ribofuranosyl]-6-methoxy-2-[5-(nitrooxy)pentyloxy]-9H-purine
Thsaurus map：
Thesaurus Map

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