Chem
J-GLOBAL ID：201307028934771057   Nikkaji number：J3.150.490B

3′-O,5′-O-[(2′-Fluoro-2′-deoxyadenosine-5′-O,3′-O-diyl)bisphosphinico]-2′-fluoro-2′-deoxyadenosine

3′-O,5′-O-[(2′-フルオロ-2′-デオキシアデノシン-5′-O,3′-O-ジイル)ビスホスフィニコ]-2′-フルオロ-2′-デオキシアデノシン
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： C20H22F2N10O10P2
Molecular formula furigana： C20-H22-F2-N10-O10-P2
Molecular weight： 662.400
InChI： InChI=1S/C20H22F2N10O10P2/c21-9-13-7(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-/m1/s1
InChI key： LMPBRGUYJGJYOI-QPMBAPTHSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@H]2[C@H]1F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12
Systematic name  (3)：
  • 3′-O,5′-O-[(2′-フルオロ-2′-デオキシアデノシン-5′-O,3′-O-ジイル)ビスホスフィニコ]-2′-フルオロ-2′-デオキシアデノシン
  • (1R,6R,8R,9R,10R,15R,17R,18R)-8,17-ビス(6-アミノ-9H-プリン-9-イル)-9,18-ジフルオロ-3,12-ジヒドロキシ-2,4,7,11,13,16-ヘキサオキサ-3λ5,12λ5-ジホスファトリシクロ[13.3.0.06,10]オクタデカン-3,12-ジオン
  • (1R,6R,8R,9R,10R,15R,17R,18R)-8,17-bis(6-amino-9H-purin-9-yl)-9,18-difluoro-3,12-dihydroxy-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecane-3,12-dione
Other name (1)：
  • 3′-O,5′-O-[(2′-Fluoro-2′-deoxyadenosine-5′-O,3′-O-diyl)bisphosphinico]-2′-fluoro-2′-deoxyadenosine
Thsaurus map：
Thesaurus Map

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