5'-O-[{[(2S)-2-Amino-4-(Hydroxyamino)-4-Oxobutanoyl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C14H20N7O10P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2s)-2-amino-4-(hydroxyamino)-4-oxo-butanoate
Molecular Mass 477.323 g·mol−1
Heat of Formation -1776.4 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 479.74 Å 3
Surface Area 343.88 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey LNQDDLRGTAFRLA-VWJPMABRSA-N
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