5,5-Diethyl-1-(β-D-Glucopyranosyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Formula C14H22N2O8
IUPAC Name 5,5-diethyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexahydropyrimidine-2,4,6-trione
Molecular Mass 346.333 g·mol−1
Heat of Formation -1551.6 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 397.12 Å 3
Surface Area 316.96 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 5,5-diethyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]hexahydropyrimidine-2,4,6-trione
  • 5,5-diethyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]hexahydropyrimidine-2,4,6-trione
  • 5,5-diethyl-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]barbituric acid
  • 5,5-diethyl-1-beta-d-glucopyranosylbarbituric acid
  • barbital n-glucoside
  • barbituric acid, 5,5-diethyl-1-beta-d-glucopyranosyl-
CAS Number(s)
  • 106476-71-5
InChIKey ALDUFTZQPLCBID-HOTMZDKISA-N
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