(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-N-Propyl-Tetrahydrofuran-2-Carboxamide

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Formula C13H20N6O4
IUPAC Name (2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-n-propyl-tetrahydrofuran-2-carboxamide
Molecular Mass 324.336 g·mol−1
Heat of Formation -505.8 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 361.86 Å 3
Surface Area 320.71 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey LWGFFTDGCMNYKN-QRIDJOKKSA-O
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