[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(4-Oxo-3,5-Dihydropyrrolo[3,2-D]Pyrimidin-1-Ium-4A-Id-7-Yl)Pyrrolidin-2-Yl]Methyl Dihydrogen Phosphate

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Formula C11H16N4O7P
IUPAC Name [(2r,3r,4s,5s)-3,4-dihydroxy-5-(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-1-ium-4a-id-7-yl)pyrrolidin-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.241 g·mol−1
Heat of Formation -1390.4 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 353.59 Å 3
Surface Area 310.56 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey HSSKSWSUZPEZMJ-YEZVMGAQSA-O
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