[[[[(2S,3R,4S,5S)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid

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Properties Simple | Detailed

Formula C10H17N6O12P3
IUPAC Name [[[[(2s,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 506.196 g·mol−1
Heat of Formation -2807.2 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 478.67 Å 3
Surface Area 360.13 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey PVKSNHVPLWYQGJ-DEGSGYPDSA-N
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