7-(4-Carboxyphenyl)-6,7-Dihydroxy-3-(5-O-Phosphono-β-D-Ribofuranosyl)-3,4,6,7-Tetrahydro-9H-Imidazo[1,2-A]Purin-9-One

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Formula C19H21N5O12P
IUPAC Name 4-[(6s,7r)-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6,7-dihydroxy-9-oxo-4,6-dihydroimidazo[1,2-a]purin-1-ium-3a-id-7-yl]benzoic acid
Molecular Mass 542.370 g·mol−1
Heat of Formation -2115.5 ± 16.7 kJ·mol−1
Dipole Moment 8.39 ± 1.08 D
Volume 544.42 Å 3
Surface Area 432.02 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey YZXNLRWRPOWVCC-HUQLJJDQSA-N
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