[(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

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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 -1553.4 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 503.93 Å 3
Surface Area 421.38 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey UYHJJYCTGRHBNF-UVIICUSPSA-O
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