(2S)-2-Amino-N-[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-3-(4-Methoxyphenyl)Propanamide

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Formula C20H27N7O5
IUPAC Name (2s)-2-amino-n-[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide
Molecular Mass 445.472 g·mol−1
Heat of Formation -557.2 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 502.68 Å 3
Surface Area 434.12 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey SLQLYJNEGUVAFG-GJIZYBQMSA-O
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