Mericitabine

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Properties Simple | Detailed

Formula C18H26FN3O6+
IUPAC Name [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate
Molecular Mass 399.414 g·mol−1
Heat of Formation -1323.4 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 468.28 Å 3
Surface Area 388.26 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(2r,3r,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-fluoro-4-methyl-2-[(2-methyl-1-oxopropoxy)methyl]-3-tetrahydrofuranyl] ester
  • 2-methylpropionic acid [(2r,3r,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-fluoro-2-(isobutyryloxymethyl)-4-methyl-tetrahydrofuran-3-yl] ester
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-4-methyl-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] 2-methylpropanoate
  • [(2r,3r,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-4-methyl-2-(2-methylpropanoyloxymethyl)tetrahydrofuran-3-yl] 2-methylpropanoate
InChIKey MLESJYFEMSJZLZ-MAAOGQSESA-N
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