({[(2S)-1-(2,6-Diamino-9H-Purin-9-Yl)-3-Hydroxy-2-Propanyl]Oxy}Methyl)Phosphonic Acid

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Properties Simple | Detailed

Formula C9H15N6O5P
IUPAC Name [(1s)-1-[(2,6-diaminopurine-1,3,7-triium-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
Molecular Mass 318.226 g·mol−1
Heat of Formation -939.8 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 333.15 Å 3
Surface Area 277.82 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-((2-(2,6-diamino-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy)methyl)phosphonic acid
  • (s)-hpmpdap
  • 9-(3-hydroxy-2-(phosphonylmethoxy)propyl)-2,6-diaminopurine
  • 9-(3-hydroxy-2-phosphonomethoxypropyl)-2,6-diaminopurine
  • 9-[(2s)-3-hydroxy-2-phosphonylmethoxylpropyl]-2,6-diaminopurine
  • [(1s)-1-[(2,6-diamino-9-purinyl)methyl]-2-hydroxyethoxy]methylphosphonic acid
  • [(1s)-1-[(2,6-diaminopurin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
  • [(2s)-1-(2,6-diaminopurin-9-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
  • [(2s)-1-(2,6-diaminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
  • hpmpdap
  • phosphonic acid, ((2-(2,6-diamino-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy)methyl)-, (s)-
  • phosphonic acid, [[(1s)-2-(2,6-diamino-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number(s)
  • 113852-35-0
InChIKey XGTJCNSZEASLLL-YFKPBYRVSA-N
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