[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(2S,3S,4S,5S,6S)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] Phosphate

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Formula C16H27N5O16P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] phosphate
Molecular Mass 607.357 g·mol−1
Heat of Formation -2970.9 ± 16.7 kJ·mol−1
Dipole Moment 11.47 ± 1.08 D
Volume 585.94 Å 3
Surface Area 419.03 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey MVUBVELZUBIXBT-VBZYDYOMSA-P
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