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

Molecule SVG Image

Properties Simple | Detailed

Formula C9H14N5O6P
IUPAC Name [(1s)-1-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
Molecular Mass 319.211 g·mol−1
Heat of Formation -1075.9 ± 16.7 kJ·mol−1
Dipole Moment 16.28 ± 1.08 D
Volume 333.5 Å 3
Surface Area 288.78 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-hpmpg
  • 9-[(2s)-3-hydroxy-2-phosphonylmethoxylpropyl]guanine
  • [(1s)-1-[(2-amino-6-keto-3h-purin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
  • [(1s)-1-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
  • [(1s)-1-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-2-hydroxyethoxy]methylphosphonic acid
  • [(2s)-1-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
  • [(2s)-1-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
  • n-(2-phosphonomethoxyethylguanine)
  • phosphonic acid, [[(1s)-2-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number(s)
  • 116558-95-3
InChIKey VXDNQJCXIVLMQW-YFKPBYRVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N