9-(5-O-Phosphono-β-D-Ribofuranosyl)-7H-Purin-9-Ium

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Properties Simple | Detailed

Formula C10H13N4O7P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(7h-purin-9-ium-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 332.207 g·mol−1
Heat of Formation -1268.2 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 337.12 Å 3
Surface Area 305.94 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(7h-purin-9-ium-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(7h-purin-9-ium-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(7h-purin-9-ium-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey MCWDCZIDTUQRHK-FDDDBJFASA-O
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