[(2S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H14N5O7P
IUPAC Name [(2s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.221 g·mol−1
Heat of Formation -1337.6 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 352.14 Å 3
Surface Area 317.75 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey PLROFWKPURHZMS-OBXARNEKSA-P
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