Chem
J-GLOBAL ID:200907048469865412   Nikkaji number:J1.686.763B

8-Bromo-2′-deoxyadenosine 5′-triphosphoric acid

8-ブロモ-2′-デオキシアデノシン5′-三りん酸
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: C10H15BrN5O12P3
Molecular formula furigana: C10-H15-BR-N5-O12-P3
Molecular weight: 570.078
InChI: InChI=1S/C10H15BrN5O12P3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,5+,6+/m0/s1
InChI key: RRCCJDDQRULAIZ-KVQBGUIXSA-N
SMILES: Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(Br)nc12
Systematic name  (3):
  • 8-ブロモ-2′-デオキシアデノシン5′-三りん酸
  • ({[({[(2R,3S,5R)-5-(6-アミノ-8-ブロモ-9H-プリン-9-イル)-3-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](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
  • 8-Bromo-2′-deoxyadenosine 5′-triphosphoric acid
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