[[(7R,8S,9R,10R)-3,4-Dihydroxy-5-(4-Oxo-11,14,15-Triaza-16,17-Diazonia-12,13-Diazanidatricyclo[Blah.Blah.Blah.Blah]Dodeca-1(16),3(14),5(17),6(15)-Tetraen-16-Yl)Tetrahydrofuran-7-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C10H18N7O14P3+
IUPAC Name [[(7r,8s,9r,10r)-3,4-dihydroxy-5-(4-oxo-11,14,15-triaza-16,17-diazonia-12,13-diazanidatricyclo[blah.blah.blah.blah]dodeca-1(16),3(14),5(17),6(15)-tetraen-16-yl)tetrahydrofuran-7-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 553.210 g·mol−1
Heat of Formation -2779.7 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 506.07 Å 3
Surface Area 404.9 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
InChIKey AOQBMXDKNPIGOB-UUOKFMHZSA-P
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