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

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Properties Simple | Detailed

Formula C14H19N6O9P
IUPAC Name (3s)-3-amino-4-[[(2r,3s,5r)-5-(6-aminopurin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-oxo-butanoic acid
Molecular Mass 446.309 g·mol−1
Heat of Formation -1719.6 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 463.42 Å 3
Surface Area 405.82 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey HIZUKUAUIJEUGQ-RBXMUDONSA-N
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