[(2R,3S,4R,5R)-5-(Benzimidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Phosphate

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Formula C23H29N4O14P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(benzimidazol-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
Molecular Mass 647.442 g·mol−1
Heat of Formation -2727.9 ± 16.7 kJ·mol−1
Dipole Moment 11.91 ± 1.08 D
Volume 651.69 Å 3
Surface Area 437.78 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -2.52 ± eV
Point Group Symmetry C1
InChIKey PCIBFRIXPNQYLE-LVSAFDJGSA-N
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