6-Oxo-9-(5-O-Phosphonopentofuranosyl)-6,7-Dihydro-3H-Purin-9-Ium

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Properties Simple | Detailed

Formula C10H14N4O8P
IUPAC Name [(2r,3r,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 349.214 g·mol−1
Heat of Formation -1468.4 ± 16.7 kJ·mol−1
Dipole Moment 12.46 ± 1.08 D
Volume 344.22 Å 3
Surface Area 300.87 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey KXJIKJKZEBZVDD-GAWUUDPSSA-P
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