[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] (2R)-2-Amino-6-[[(E)-But-2-Enoyl]Amino]Hexanoate

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Formula C20H30N7O9P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-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 -1700.2 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 604.25 Å 3
Surface Area 520.35 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey LHHJTQMSXUIODG-XNGPLBMESA-O
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