[(2R,3S,4R,5R)-5-(4,6-Dioxopyrazolo[3,4-D]Pyrimidine-1,2,7-Triium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C10H13N4O9P
IUPAC Name [(2r,3s,4r,5r)-5-(4,6-dioxopyrazolo[3,4-d]pyrimidine-1,2,7-triium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 364.205 g·mol−1
Heat of Formation -1626.0 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 359.61 Å 3
Surface Area 302.65 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey NTQRZARMNALHJD-XYLSLSMCSA-P
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