Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2-Amino-6-Methoxy-9H-Purin-9-Yl)-4-Fluoro-3-Hydroxy-4-Methyltetrahydro-2-Furanyl]Methoxy}(Phenoxy)Phosphoryl]Amino}Propanoate

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Properties Simple | Detailed

Formula C24H32FN6O8P
IUPAC Name isopropyl (2s)-2-[[[(2r,3r,4r,5r)-5-(2-amino-6-methoxy-purine-1,3,7-triium-9-yl)-4-fluoro-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 582.518 g·mol−1
Heat of Formation -1598.4 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 657.96 Å 3
Surface Area 482.38 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey KVCZQFHLXRMEIB-LZEIJKKFSA-N
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