[Hydroxy-[[(2R,3S,5R)-3-Hydroxy-5-(5-Nitro-2H-Indol-1-Ium-2-Ylium-1-Yl)Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C13H17N2O14P3
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-nitro-2h-indol-1-ium-2-ylium-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 518.200 g·mol−1
Heat of Formation -3006.2 ± 16.7 kJ·mol−1
Dipole Moment 8.79 ± 1.08 D
Volume 500.41 Å 3
Surface Area 413.0 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey SYTQJFNLXVYDSB-YNEHKIRRSA-N
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