Valomaciclovir

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Properties Simple | Detailed

Formula C15H31N6O4+
IUPAC Name [(3r)-3-[(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)methyl]-4-hydroxy-butyl] (2s)-2-amino-3-methyl-butanoate
Molecular Mass 359.444 g·mol−1
Heat of Formation -539.9 ± 16.7 kJ·mol−1
Dipole Moment 9.62 ± 1.08 D
Volume 425.17 Å 3
Surface Area 340.57 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-methyl-butyric acid [(3r)-3-[(2-amino-6-keto-3h-purin-9-yl)methyl]-4-hydroxy-butyl] ester
  • (2s)-2-amino-3-methylbutanoic acid [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-4-hydroxybutyl] ester
  • [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-4-hydroxy-butyl] (2s)-2-amino-3-methyl-butanoate
  • [(3r)-3-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-4-hydroxybutyl] (2s)-2-amino-3-methylbutanoate
  • l-valine, 4-ester with 9-((r)-4-hydroxy-2-(hydroxymethyl)butyl)guanine
CAS Number(s)
  • 195157-34-7
InChIKey ATSZELKUSAREPW-ZJUUUORDSA-N
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