(1S)-1,4-Anhydro-2-Deoxy-1-(3-Methyl-2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-D-Erythro-Pentitol

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Formula C10H14N2O5++
IUPAC Name 5-[(2s,4r,5s)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 242.229 g·mol−1
Heat of Formation -883.6 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 267.43 Å 3
Surface Area 244.06 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey QDIHUJOIPYIRQS-CSMHCCOUSA-P
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