Chem
J-GLOBAL ID：200907093454226150   Nikkaji number：J1.939.156F

Guanosine-5′-diphosphoric acid β-propargyl ester

グアノシン-5′-二りん酸β-プロパルギル
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： C13H17N5O11P2
Molecular formula furigana： C13-H17-N5-O11-P2
Molecular weight： 481.251
InChI： InChI=1S/C13H17N5O11P2/c1-2-3-26-30(22,23)29-31(24,25)27-4-6-8(19)9(20)12(28-6)18-5-15-7-10(18)16-13(14)17-11(7)21/h1,5-6,8-9,12,19-20H,3-4H2,(H,22,23)(H,24,25)(H3,14,16,17,21)/t6-,8-,9-,12-/m1/s1
InChI key： MFFBFCGPQKQZIL-WOUKDFQISA-N
SMILES： Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OCC#C)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • グアノシン-5′-二りん酸β-プロパルギル
  • {[(2R,3S,4R,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-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(プロパ-2-イン-1-イルオキシ)ホスホリル]オキシ})ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy(prop-2-yn-1-yloxy)phosphoryl]oxy})phosphinic acid
Other name (1)：
  • Guanosine-5′-diphosphoric acid β-propargyl ester
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