(2S,3S,4R,5R)-5-[6-(Benzylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-N-Methyl-Tetrahydrofuran-2-Carboxamide

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Formula C18H20N6O4
IUPAC Name (2s,3s,4r,5r)-5-[6-(benzylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-n-methyl-tetrahydrofuran-2-carboxamide
Molecular Mass 384.389 g·mol−1
Heat of Formation -336.3 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 430.7 Å 3
Surface Area 382.53 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey SNFKFUOBDKIGOS-MOROJQBDSA-O
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