Isopropyl (2S)-2-[[[(1R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-1-Methyl-Ethoxy]Methyl-Phenoxy-Phosphoryl]Amino]Propanoate

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Formula C21H29N6O5P
IUPAC Name isopropyl (2s)-2-[[[(1r)-2-(6-aminopurine-1,3,7-triium-9-yl)-1-methyl-ethoxy]methyl-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 476.466 g·mol−1
Heat of Formation -822.0 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 568.94 Å 3
Surface Area 419.89 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey KXELEHJSPYSODX-CAQYMETFSA-O
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