Chem
J-GLOBAL ID：201207021429148408   Nikkaji number：J3.081.807E

2′-Deoxy-5′-guanylic acid hydroxy[(S)-chloro(phosphono)methyl]phosphinoyl ester

2′-デオキシ-5′-グアニル酸ヒドロキシ[(S)-クロロ(ホスホノ)メチル]ホスフィノイル
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： C11H17ClN5O12P3
Molecular formula furigana： C11-H17-CL-N5-O12-P3
Molecular weight： 539.650
InChI： InChI=1S/C11H17ClN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10-/m0/s1
InChI key： GBPRSSRXOIDBNV-KQQCLRPBSA-N
SMILES： Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)[C@@H](Cl)P(=O)(O)O)O1
Systematic name  (3)：
  • 2′-デオキシ-5′-グアニル酸ヒドロキシ[(S)-クロロ(ホスホノ)メチル]ホスフィノイル
  • [(S)-{[({[(2R,3S,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-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}(クロロ)メチル]ホスホン酸
  • [(S)-{[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}(chloro)methyl]phosphonic acid
Other name (1)：
  • 2′-Deoxy-5′-guanylic acid hydroxy[(S)-chloro(phosphono)methyl]phosphinoyl ester
Thsaurus map：
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