Chem
J-GLOBAL ID：201407063995184984
Nikkaji number：J3.300.165G
3′,5′-[(1H-1,2,3-Triazole-1,4-diyl)(3′,5′-dideoxyadenosine-5′,3′-diyl)(1H-1,2,3-triazole-1,4-diyl)]-3′,5′-dideoxyadenosine
3′,5′-[(1H-1,2,3-トリアゾール-1,4-ジイル)(3′,5′-ジデオキシアデノシン-5′,3′-ジイル)(1H-1,2,3-トリアゾール-1,4-ジイル)]-3′,5′-ジデオキシアデノシン
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
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
Molecular formula： C24H24N16O4
Molecular formula furigana： C24-H24-N16-O4
Molecular weight： 600.564
InChI：
InChI=1S/C24H24N16O4/c25-19-13-21(29-5-27-19)37(7-31-13)23-17(41)15-11(43-23)1-9-3-39(35-33-9)16-12(2-10-4-40(15)36-34-10)44-24(18(16)42)38-8-32-14-20(26)28-6-30-22(14)38/h3-8,11-12,15-18,23-24,41-42H,1-2H2,(H2,25,27,29)(H2,26,28,30)/t11-,12-,15-,16-,17-,18-,23-,24-/m1/s1
InChI key：
RUHCGCXYBOPLFA-INLCHHDGSA-N
SMILES：
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2Cc3cn(nn3)[C@@H]3[C@@H](Cc4cn(nn4)[C@H]2[C@H]1O)O[C@H]([C@@H]3O)n1cnc2c(N)ncnc12
Systematic name (4)：
- 3′,5′-[(1H-1,2,3-トリアゾール-1,4-ジイル)(3′,5′-ジデオキシアデノシン-5′,3′-ジイル)(1H-1,2,3-トリアゾール-1,4-ジイル)]-3′,5′-ジデオキシアデノシン
- (3α,7β,13α,17β)-5β,15β-ビス(6-アミノ-9H-プリン-9-イル)-4,14-ジオキサ-8,9,10,18,19,20-ヘキサアザペンタシクロ[16.2.1.18,11.03,7.013,17]ドコサン-1(21),9,11(22),19-テトラエン-6α,16α-ジオール
- (2S,3R,4R,6R,12S,13R,14R,16R)-4,14-ビス(6-アミノ-9H-プリン-9-イル)-5,15-ジオキサ-1,9,10,11,19,20-ヘキサアザペンタシクロ[16.2.1.18,11.02,6.012,16]ドコサ-8(22),9,18(21),19-テトラエン-3,13-ジオール
- (2S,3R,4R,6R,12S,13R,14R,16R)-4,14-bis(6-amino-9H-purin-9-yl)-5,15-dioxa-1,9,10,11,19,20-hexaazapentacyclo[16.2.1.18,11.02,6.012,16]docosa-8(22),9,18(21),19-tetraene-3,13-diol
- 3′,5′-[(1H-1,2,3-Triazole-1,4-diyl)(3′,5′-dideoxyadenosine-5′,3′-diyl)(1H-1,2,3-triazole-1,4-diyl)]-3′,5′-dideoxyadenosine
- (3α,7β,13α,17β)-5β,15β-Bis(6-amino-9H-purine-9-yl)-4,14-dioxa-8,9,10,18,19,20-hexaazapentacyclo[16.2.1.18,11.03,7.013,17]docosane-1(21),9,11(22),19-tetraene-6α,16α-diol
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