6-{[(2S,6S)-6-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-9H-Purin-9-Yl)-5-Oxo-5,6-Dihydro-2H-Pyran-2-Yl]Methoxy}Hexanoic Acid

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Properties Simple | Detailed

Formula C19H28N4O7
IUPAC Name 6-[[(2r,6r)-6-(1,3-dimethyl-2,6-dioxo-8h-purine-4,5,7,8-tetraid-9-yl)-5-oxo-2h-pyran-2-yl]methoxy]hexanoic acid
Molecular Mass 424.448 g·mol−1
Heat of Formation -1009.3 ± 16.7 kJ·mol−1
Dipole Moment 10.20 ± 1.08 D
Volume 478.75 Å 3
Surface Area 357.59 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
InChIKey BBNUVZSDGRQNJJ-KZULUSFZSA-N
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