Chem
J-GLOBAL ID：200907013963286761   Nikkaji number：J312.568H

BrdUTP

5-ブロモ-2′-デオキシウリジン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： C9H14BrN2O14P3
Molecular formula furigana： C9-H14-BR-N2-O14-P3
Molecular weight： 547.036
InChI： InChI=1S/C9H14BrN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChI key： BLQCQNFLEGAHPA-RRKCRQDMSA-N
SMILES： O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cc(Br)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-ブロモ-2′-デオキシウリジン5′-三りん酸
  • ({[({[(2R,3S,5R)-5-(5-ブロモ-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-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-(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (2)：
  • 5-Bromo-2′-deoxyuridine 5′-triphosphoric acid
  • BrdUTP
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