Chem
J-GLOBAL ID：200907071078974286
Nikkaji number：J2.662.869E
Adenosine 5′-[diphosphoric acid P2-(2-fluoro-2-deoxy-α-L-glycero-D-gluco-heptopyranosyl)] ester
アデノシン5′-[二りん酸P2-(2-フルオロ-2-デオキシ-α-L-glycero-D-gluco-ヘプトピラノシル)]
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： C17H26FN5O15P2
Molecular formula furigana： C17-H26-F-N5-O15-P2
Molecular weight： 621.361
InChI：
InChI=1S/C17H26FN5O15P2/c18-7-10(27)11(28)13(5(25)1-24)36-17(7)37-40(32,33)38-39(30,31)34-2-6-9(26)12(29)16(35-6)23-4-22-8-14(19)20-3-21-15(8)23/h3-7,9-13,16-17,24-29H,1-2H2,(H,30,31)(H,32,33)(H2,19,20,21)/t5-,6+,7+,9+,10+,11-,12+,13+,16+,17-/m0/s1
InChI key：
SUPCMUQXGKOKIM-FJBXLJLUSA-N
SMILES：
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]2F)[C@@H](O)[C@H]1O
Systematic name (3)：
- アデノシン5′-[二りん酸P2-(2-フルオロ-2-デオキシ-α-L-glycero-D-gluco-ヘプトピラノシル)]
- {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}[({[(2S,3R,4S,5S,6R)-6-[(1S)-1,2-ジヒドロキシエチル]-3-フルオロ-4,5-ジヒドロキシオキサン-2-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]ホスフィン酸
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2S,3R,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3-fluoro-4,5-dihydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
- Adenosine 5′-[diphosphoric acid P2-(2-fluoro-2-deoxy-α-L-glycero-D-gluco-heptopyranosyl)] ester
Return to Previous Page
