{(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 C10H17N5O6P
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 334.246 g·mol−1
Heat of Formation -1106.7 ± 16.7 kJ·mol−1
Dipole Moment 9.07 ± 1.08 D
Volume 360.68 Å 3
Surface Area 326.18 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.59 ± 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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