Chem
J-GLOBAL ID:201307010543809975   Nikkaji number:J3.172.585B

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

3′-O,5′-O-[(2′-フルオロ-2′-デオキシグアノシン-3′-O,5′-O-ジイル)ビスホスフィニコ]-2′-フルオロ-2′-デオキシグアノシン
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: C20H22F2N10O12P2
Molecular formula furigana: C20-H22-F2-N10-O12-P2
Molecular weight: 694.398
InChI: InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1
InChI key: RKBIDRCIXOIYKC-MJIGAOGXSA-N
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[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)n1cnc2c1nc(N)[nH]c2=O
Systematic name  (3):
  • 3′-O,5′-O-[(2′-フルオロ-2′-デオキシグアノシン-3′-O,5′-O-ジイル)ビスホスフィニコ]-2′-フルオロ-2′-デオキシグアノシン
  • (1R,6R,8R,9R,10R,15R,17R,18R)-8,17-ビス(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-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(2-amino-6-oxo-6,9-dihydro-1H-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′-deoxyguanosine-3′-O,5′-O-diyl)bisphosphinico]-2′-fluoro-2′-deoxyguanosine
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