Chem
J-GLOBAL ID：200907095149849727   Nikkaji number：J1.610.449C

1,5-[(2-O,3-O-Isopropylidene-1-deoxy-β-D-ribofuranose-1,5-O-diyl)(oxylatophosphinylidene)oxy(oxylatophosphinylidene)(2-O,3-O-isopropylidene-1-deoxy-4-O-carba-β-D-ribofuranose-5-O,1-diyl)]-4-amino-5-azonia-1,3,7-triaza-1H-indene

1,5-[(2-O,3-O-イソプロピリデン-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)(2-O,3-O-イソプロピリデン-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)]-4-アミノ-5-アゾニア-1,3,7-トリアザ-1H-インデン
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： C22H30N4[N+]O10[O-]2P2
Molecular formula furigana： C22-H30-N5-O12-P2
Molecular weight： 618.453
InChI： InChI=1S/C22H31N5O12P2/c1-21(2)35-14-10-5-11(15(14)36-21)26-9-25-19-13(18(26)23)24-8-27(19)20-17-16(37-22(3,4)38-17)12(34-20)7-33-41(30,31)39-40(28,29)32-6-10/h8-12,14-17,20,23H,5-7H2,1-4H3,(H2,28,29,30,31)/p-1/t10-,11-,12-,14-,15+,16-,17-,20-/m1/s1
InChI key： ALXIIERTYSGWPZ-RKRIFZRLSA-M
SMILES： CC1(C)O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)[n+]1cnc2n(cnc2c1N)[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC3)[C@H]2OC(C)(C)O[C@@H]12
Systematic name  (3)：
  • 1,5-[(2-O,3-O-イソプロピリデン-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)(2-O,3-O-イソプロピリデン-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)]-4-アミノ-5-アゾニア-1,3,7-トリアザ-1H-インデン
  • (1R,10R,11R,15R,16R,24R,25R,29S)-32-アミノ-13,13,27,27-テトラメチル-19,21-ジオキソ-12,14,18,20,22,26,28,31-オクタオキサ-2λ5,4,7,9-テトラアザ-19λ5,21λ5-ジホスファヘプタシクロ[22.5.1.12,6.110,16.05,9.011,15.025,29]ドトリアコンタ-2,4,6(32),7-テトラエン-2-イリウム-19,21-ビス(オラート)
  • (1R,10R,11R,15R,16R,24R,25R,29S)-32-amino-13,13,27,27-tetramethyl-19,21-dioxo-12,14,18,20,22,26,28,31-octaoxa-2λ5,4,7,9-tetraaza-19λ5,21λ5-diphosphaheptacyclo[22.5.1.12,6.110,16.05,9.011,15.025,29]dotriaconta-2,4,6(32),7-tetraen-2-ylium-19,21-bis(olate)
Other name (1)：
  • 1,5-[(2-O,3-O-Isopropylidene-1-deoxy-β-D-ribofuranose-1,5-O-diyl)(oxylatophosphinylidene)oxy(oxylatophosphinylidene)(2-O,3-O-isopropylidene-1-deoxy-4-O-carba-β-D-ribofuranose-5-O,1-diyl)]-4-amino-5-azonia-1,3,7-triaza-1H-indene
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