1-(β-D-Glucopyranosyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H16N2O7++
IUPAC Name 5-methyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 288.254 g·mol−1
Heat of Formation -1248.7 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 315.9 Å 3
Surface Area 278.4 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey RMXUFBPORJBBEZ-HPFNVAMJSA-N
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