[(2R,3S,5S)-2-(Hydroxymethyl)-5-(7-Hydroxy-1-Oxo-3,4-Dihydropyrimido[1,6-A]Benzimidazol-5-Ium-3,4,9A-Triid-2-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C15H19N3O8P
IUPAC Name [(2r,3s,5s)-2-(hydroxymethyl)-5-(7-hydroxy-1-oxo-3,4-dihydropyrimido[1,6-a]benzimidazol-5-ium-3,4,9a-triid-2-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 400.300 g·mol−1
Heat of Formation -1483.7 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 407.55 Å 3
Surface Area 358.17 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
InChIKey YGNLEEYFWCRXEN-IDGQOAFDSA-O
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