Chem
J-GLOBAL ID：200907047165106098   Nikkaji number：J705.766K

8-Bromoadenosine 5′-diphosphoric acid

8-ブロモアデノシン5′-二りん酸
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： C10H14BrN5O10P2
Molecular formula furigana： C10-H14-BR-N5-O10-P2
Molecular weight： 506.099
InChI： InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
InChI key： KVVVTFSHHQCHNZ-UUOKFMHZSA-N
SMILES： Nc1ncnc2n([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(Br)nc12
Systematic name  (3)：
  • 8-ブロモアデノシン5′-二りん酸
  • [({[(2R,3S,4R,5R)-5-(6-アミノ-8-ブロモ-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}(ヒドロキシ)ホスホリル)オキシ]ホスホン酸
  • [({[(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (1)：
  • 8-Bromoadenosine 5′-diphosphoric acid
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