[(2S,4R,5R)-4-Hydroxy-5-(5-Oxotriazolo[4,5-D]Pyrimidine-1,6-Diium-6-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C9H19N5O7P+
IUPAC Name [(2s,4r,5r)-5-[(3as,7as)-5-oxo-1,2,3,3a,4,6,7,7a-octahydrotriazolo[4,5-d]pyrimidin-6-ium-6-yl]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 340.250 g·mol−1
Heat of Formation -1163.1 ± 16.7 kJ·mol−1
Dipole Moment 10.60 ± 1.08 D
Volume 327.51 Å 3
Surface Area 277.14 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey JEVUAZPTMIALLT-ZQPQUWFCSA-O
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