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

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Formula C15H20N2O7++
IUPAC Name 5-pent-1-ynyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione
Molecular Mass 340.329 g·mol−1
Heat of Formation -1059.8 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 389.12 Å 3
Surface Area 349.27 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey XHEMRIMZCOFGEX-YGEZULPYSA-N
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