Chem
J-GLOBAL ID：200907078701640577   Nikkaji number：J1.610.447G

9,6-[(1-Deoxy-β-D-ribofuranose-1,5-O-diyl)(oxylatophosphinylidene)oxy(oxylatophosphinylidene)(1-deoxy-4-O-carba-β-D-ribofuranose-5-O,1-diyl)imino]-9H-purine

9,6-[(1-デオキシ-β-D-リボフラノース-1,5-O-ジイル)(オキシラトホスフィニリデン)オキシ(オキシラトホスフィニリデン)(1-デオキシ-4-O-カルバ-β-D-リボフラノース-5-O,1-ジイル)イミノ]-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： C16H21N5O10[O-]2P2
Molecular formula furigana： C16-H21-N5-O12-P2
Molecular weight： 537.316
InChI： InChI=1S/C16H23N5O12P2/c22-10-6-1-7(11(10)23)20-14-9-15(18-4-17-14)21(5-19-9)16-13(25)12(24)8(32-16)3-31-35(28,29)33-34(26,27)30-2-6/h4-8,10-13,16,22-25H,1-3H2,(H,26,27)(H,28,29)(H,17,18,20)/p-2/t6-,7-,8-,10-,11+,12-,13-,16-/m1/s1
InChI key： SOFNUDPQSOTFAM-KHIQETQXSA-L
SMILES： O[C@@H]1[C@@H]2C[C@@H](Nc3ncnc4n(cnc34)[C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC2)[C@@H](O)[C@H]3O)[C@@H]1O
Systematic name  (3)：
  • 9,6-[(1-デオキシ-β-D-リボフラノース-1,5-O-ジイル)(オキシラトホスフィニリデン)オキシ(オキシラトホスフィニリデン)(1-デオキシ-4-O-カルバ-β-D-リボフラノース-5-O,1-ジイル)イミノ]-9H-プリン
  • (1R,12R,13S,14R,15R,23R,24S,25R)-13,14,24,25-テトラヒドロキシ-18,20-ジオキソ-17,19,21,26-テトラオキサ-2,4,7,9,11-ペンタアザ-18λ5,20λ5-ジホスファペンタシクロ[21.2.1.112,15.02,6.05,10]ヘプタコサ-3,5(10),6,8-テトラエン-18,20-ビス(オラート)
  • (1R,12R,13S,14R,15R,23R,24S,25R)-13,14,24,25-tetrahydroxy-18,20-dioxo-17,19,21,26-tetraoxa-2,4,7,9,11-pentaaza-18λ5,20λ5-diphosphapentacyclo[21.2.1.112,15.02,6.05,10]heptacosa-3,5(10),6,8-tetraene-18,20-bis(olate)
Other name (1)：
  • 9,6-[(1-Deoxy-β-D-ribofuranose-1,5-O-diyl)(oxylatophosphinylidene)oxy(oxylatophosphinylidene)(1-deoxy-4-O-carba-β-D-ribofuranose-5-O,1-diyl)imino]-9H-purine
Thsaurus map：
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