1-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-5-Nitro-1H-Indole

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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 -2990.2 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 502.77 Å 3
Surface Area 415.79 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
InChIKey JJJBDAFRCKSXDR-YNEHKIRRSA-N
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