(2R)-2-[(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Methoxy]-3-Hydroxypropyl L-Valinate

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Properties Simple | Detailed

Formula C14H22N6O5
IUPAC Name [(2r)-2-[(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)methoxy]-3-hydroxy-propyl] (2s)-2-amino-3-methyl-butanoate
Molecular Mass 354.362 g·mol−1
Heat of Formation -663.7 ± 16.7 kJ·mol−1
Dipole Moment 10.81 ± 1.08 D
Volume 416.17 Å 3
Surface Area 329.34 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-methyl-butyric acid [(2r)-2-[(2-amino-6-keto-3h-purin-9-yl)methoxy]-3-hydroxy-propyl] ester
  • (2s)-2-amino-3-methylbutanoic acid [(2r)-2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-3-hydroxypropyl] ester
  • [(2r)-2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-3-hydroxy-propyl] (2s)-2-amino-3-methyl-butanoate
  • [(2r)-2-[(2-amino-6-oxo-3h-purin-9-yl)methoxy]-3-hydroxypropyl] (2s)-2-amino-3-methylbutanoate
InChIKey WPVFJKSGQUFQAP-BDAKNGLRSA-N
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