Chem
J-GLOBAL ID：200907036312647251   Nikkaji number：J864.156K

XDP

キサントシン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： C10H14N4O12P2
Molecular formula furigana： C10-H14-N4-O12-P2
Molecular weight： 444.186
InChI： InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChI key： YMOPVQQBWLGDOD-UUOKFMHZSA-N
SMILES： O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Systematic name  (3)：
  • キサントシン5′-二りん酸
  • [({[(2R,3S,4R,5R)-5-(2,6-ジオキソ-2,3,6,9-テトラヒドロ-1H-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-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (2)：
  • Xanthosine 5′-diphosphoric acid
  • XDP
KEGG COMPOUND： C01337
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