1-(3-Cyano-2,3-Dideoxy-D-Glycero-Pentofuranosyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C11H13N3O4++
IUPAC Name (2s,3r,5s)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-carbonitrile
Molecular Mass 251.239 g·mol−1
Heat of Formation -592.8 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 288.0 Å 3
Surface Area 259.28 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey LFAIUPXHKWZRNL-HLTSFMKQSA-P
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