[(2S,4S,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxytetrahydro-2-Furanyl]Methyl Hydrogen [(2S,3R)-2,3-Dihydroxy-4-Methylpentanoyl]Phosphoramidate

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Formula C16H25N6O8P
IUPAC Name [(2s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[(2s,3r)-2,3-dihydroxy-4-methyl-pentanoyl]phosphonamidic acid
Molecular Mass 460.379 g·mol−1
Heat of Formation -1570.1 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 496.67 Å 3
Surface Area 406.42 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,4s,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-tetrahydrofuranyl]methoxy-n-[(2s,3r)-2,3-dihydroxy-4-methyl-1-oxopentyl]phosphonamidic acid
  • [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxy-n-[(2s,3r)-2,3-dihydroxy-4-methyl-pentanoyl]phosphonamidic acid
  • [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-n-[(2s,3r)-2,3-dihydroxy-4-methyl-pentanoyl]phosphonamidic acid
InChIKey KHSKVNAFZAVNFC-UVIICUSPSA-N
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