2-Amino-N-{5-[6-(Dimethylamino)-9H-Purin-9-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl}-3-(4-Hydroxyphenyl)Propanamide

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Formula C21H27N7O5
IUPAC Name (2s)-2-amino-n-[(2s,3s,4r,5r)-5-[6-(dimethylamino)purine-1,3,7-triium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propanamide
Molecular Mass 457.483 g·mol−1
Heat of Formation -536.9 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 522.81 Å 3
Surface Area 452.86 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey NVZJDPXVSWFFJJ-FMBVFVGGSA-O
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