Methyl N-[{[3-(6-Amino-9H-Purin-9-Yl)-4-Fluoro-5-Hydroxy-2-Methylenecyclopentyl]Methoxy}(Phenoxy)Phosphoryl]-L-Alaninate

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Properties Simple | Detailed

Formula C22H26FN6O6P
IUPAC Name methyl (2s)-2-[[[(1r,2r,3s,4r)-4-(6-aminopurine-1,3,7-triium-9-yl)-3-fluoro-2-hydroxy-5-methylene-cyclopentyl]methoxy-phenoxy-phosphoryl]amino]propanoate
Molecular Mass 520.451 g·mol−1
Heat of Formation -1113.6 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 578.81 Å 3
Surface Area 468.19 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey POBLQHUCZZQDHY-PORUOHHBSA-N
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