(2R)-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-Hydroxyphenyl)Propanamide

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Formula C19H23N7O5
IUPAC Name (2r)-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-hydroxyphenyl)propanamide
Molecular Mass 429.430 g·mol−1
Heat of Formation -553.9 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 487.74 Å 3
Surface Area 422.21 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey UKYJAEVOMXDCBM-XDJZACDYSA-O
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