[(1R,2R,3S,4R)-2,3-Dihydroxy-4-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Cyclopentyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H16N4O7P
IUPAC Name [(1r,2r,3s,4r)-2,3-dihydroxy-4-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)cyclopentyl]methyl dihydrogen phosphate
Molecular Mass 347.241 g·mol−1
Heat of Formation -1308.5 ± 16.7 kJ·mol−1
Dipole Moment 12.09 ± 1.08 D
Volume 359.33 Å 3
Surface Area 320.53 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey MQHIPEOLRULEMU-GCXDCGAKSA-P
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