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

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Properties Simple | Detailed

Formula C10H14N5O8P
IUPAC Name [(2r,3r,4r,5r)-2-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 363.221 g·mol−1
Heat of Formation -1525.3 ± 16.7 kJ·mol−1
Dipole Moment 8.19 ± 1.08 D
Volume 363.76 Å 3
Surface Area 307.71 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey PAEIMQNUXHNBAC-UUOKFMHZSA-P
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