[(2S)-3-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-2-Hydroxy-Propyl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C8H12N5O6P
IUPAC Name [(2s)-3-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-2-hydroxy-propyl] dihydrogen phosphate
Molecular Mass 305.185 g·mol−1
Heat of Formation -1169.8 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 320.92 Å 3
Surface Area 287.73 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey TXCXNISKYXPSEE-BYPYZUCNSA-P
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