[(2R,3R,4R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] (2S)-2-Acetamido-3-Phenyl-Propanoate

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Formula C21H24N6O6
IUPAC Name [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] (2s)-2-acetamido-3-phenyl-propanoate
Molecular Mass 456.452 g·mol−1
Heat of Formation -732.2 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 531.89 Å 3
Surface Area 392.37 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey URWOATHFLHPANF-SWQDORGXSA-N
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