2,2-Dimethylpropyl (2S)-2-{[(R)-{[(2R,3R,4R,5R)-5-(2-Amino-6-Methoxy-9H-Purin-9-Yl)-3,4-Dihydroxy-4-Methyltetrahydro-2-Furanyl]Methoxy}(1-Naphthyloxy)Phosphoryl]Amino}Propanoate

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Formula C30H39N6O9P
IUPAC Name 2,2-dimethylpropyl (2s)-2-[[[(2r,3r,4r,5r)-5-(2-amino-6-methoxy-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-(1-naphthyloxy)phosphoryl]amino]propanoate
Molecular Mass 658.639 g·mol−1
Heat of Formation -1556.0 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 763.73 Å 3
Surface Area 546.13 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey YFXGICNMLCGLHJ-MWPHEXKPSA-N
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