[[(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

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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 -1723.4 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 490.36 Å 3
Surface Area 419.78 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey PMVIANAVRDHMGJ-VWJPMABRSA-O
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