4-Amino-1-[2,5-Anhydro-4-(Hydroxymethyl)Pentofuranosyl]-5-Methyl-2(1H)-Pyrimidinone

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Formula C11H15N3O5
IUPAC Name 4-amino-1-[(1r,4s,6r,7s)-7-hydroxy-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidin-3-ium-2-one
Molecular Mass 269.254 g·mol−1
Heat of Formation -713.9 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 295.45 Å 3
Surface Area 265.01 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey NELYIRACPIJATH-SZVQBCOZSA-O
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