[[[(2R,3S,5R)-5-(2-Amino-7-Ethyl-6-Oxo-3,8-Dihydropurin-1-Ium-8-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C12H22N5O13P3
IUPAC Name [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3,8-dihydropurin-1-ium-8-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 537.250 g·mol−1
Heat of Formation -3003.3 ± 16.7 kJ·mol−1
Dipole Moment 14.46 ± 1.08 D
Volume 520.09 Å 3
Surface Area 388.36 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey HVXDIBLNZZVZRK-IPKPKSPZSA-P
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