[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-Oxo-1H-Pyrrolo[2,3-D]Pyrimidine-3,7-Diium-4A-Id-7-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C11H15N3O8P+
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-4a-id-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 348.226 g·mol−1
Heat of Formation -1503.5 ± 16.7 kJ·mol−1
Dipole Moment 9.97 ± 1.08 D
Volume 350.3 Å 3
Surface Area 308.26 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey XREMESFSSNEZAC-KCGFPETGSA-P
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