[(2R,3S,5R)-3-Hydroxy-5-(2-Oxo-10H-Pyrimido[5,4-B][1,4]Benzothiazin-1-Ium-3-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C15H16N3O7PS
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(2-oxo-10h-pyrimido[5,4-b][1,4]benzothiazin-1-ium-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 413.342 g·mol−1
Heat of Formation -1343.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 423.41 Å 3
Surface Area 359.25 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey XGGPOEXAHMEEAR-DUNYWLOYSA-P
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