Balapiravir

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Properties Simple | Detailed

Formula C21H30N6O8
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Mass 494.498 g·mol−1
Heat of Formation -1187.9 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 583.24 Å 3
Surface Area 451.08 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-azido-3,4-bis(2-methyl-1-oxopropoxy)-2-tetrahydrofuranyl]methyl ester
  • 2-methylpropionic acid [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-azido-3,4-diisobutyryloxy-tetrahydrofuran-2-yl]methyl ester
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate
InChIKey VKXWOLCNTHXCLF-DXEZIKHYSA-N
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