[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 2,4,6-Trimethylbenzoate

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Formula C20H24N5O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2,4,6-trimethylbenzoate
Molecular Mass 493.407 g·mol−1
Heat of Formation -1552.4 ± 16.7 kJ·mol−1
Dipole Moment 0.52 ± 1.08 D
Volume 525.89 Å 3
Surface Area 370.17 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey JVDGWTMCQTYKMZ-BGIGGGFGSA-O
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