{(3S)-3-[(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Methoxy]-4-Hydroxybutyl}Phosphonic Acid

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Properties Simple | Detailed

Formula C10H16N5O6P
IUPAC Name [(3s)-3-[(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)methoxy]-4-hydroxy-butyl]phosphonic acid
Molecular Mass 333.238 g·mol−1
Heat of Formation -1113.0 ± 16.7 kJ·mol−1
Dipole Moment 12.91 ± 1.08 D
Volume 354.34 Å 3
Surface Area 298.97 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-3-[(2-amino-6-keto-3h-purin-9-yl)methoxy]-4-hydroxy-butyl]phosphonic acid
  • [(3s)-3-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-4-hydroxy-butyl]phosphonic acid
  • phosphonic acid, [(3s)-3-[(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)methoxy]-4-hydroxybutyl]-
InChIKey QVNXYSKNFUJRMI-LURJTMIESA-N
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