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CAS 149394-66-1

:

Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2)

Description:
Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2), identified by CAS number 149394-66-1, is a chemical compound characterized by its phosphonic acid functional group, which imparts significant acidity and reactivity. This compound features a pyrimidine derivative, contributing to its biological activity, particularly in pharmaceutical applications. The presence of the hydroxymethyl and ethoxy groups enhances its solubility and interaction with biological systems. As a hydrate, it contains water molecules in its structure, which can influence its stability and reactivity. The compound is likely to exhibit properties typical of phosphonic acids, such as chelation with metal ions and potential use as a herbicide or in medicinal chemistry. Its specific stereochemistry, indicated by the (1S) configuration, suggests that it may have distinct biological activity based on its three-dimensional arrangement. Overall, this compound's unique structure and functional groups make it of interest in various chemical and biological research fields.
Formula:C8H14N3O6P·2H2O
InChI:InChI=1S/C8H14N3O6P.2H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);2*1H2/t6-;;/m0../s1
InChI key:InChIKey=FPKARFMSZDBYQF-ILKKLZGPSA-N
SMILES:C([C@H](OCP(=O)(O)O)CO)N1C(=O)N=C(N)C=C1.O
Synonyms:
  • ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid dihydrate
  • Cidofovir hydrate
  • Phosphonic acid, P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, hydrate (1:2)
  • Phosphonic acid, [[(S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, dihydrate
  • Phosphonic acid, [[2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, dihydrate, (S)-
  • acide {[(1S)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxyméthyl)éthoxy]méthyl}phosphonique dihydrate
  • phosphonic acid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, dihydrate
  • {[(1S)-2-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphons?uredihydrat
  • {[(1S)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-(hydroxymethyl)ethoxy]methyl}phosphonic acid dihydrate
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