5'-O-[(S)-({(2R)-2-Amino-6-[(2E)-2-Butenoylamino]Hexanoyl}Oxy)(Hydroxy)Phosphoryl]Adenosine

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Formula C20H30N7O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-5-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (2r)-2-amino-6-[[(e)-but-2-enoyl]amino]hexanoate
Molecular Mass 543.467 g·mol−1
Heat of Formation -1707.4 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 601.48 Å 3
Surface Area 515.27 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey ILVVVZQSKVIFML-XNGPLBMESA-N
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