6-Amino-5-(B-D-Glucopyranosyloxy)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C10H15N3O8++
IUPAC Name 6-amino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pyrimidine-2,4-dione
Molecular Mass 305.241 g·mol−1
Heat of Formation -1399.2 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 319.25 Å 3
Surface Area 279.48 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1h-pyrimidine-2,4-dione
  • 6-amino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1h-pyrimidine-2,4-dione
  • 6-amino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-uracil
  • 6-amino-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1h-pyrimidine-2,4-dione
  • 6-amino-5-beta-d-glucopyranosyloxyuracil
  • convicine
CAS Number(s)
  • 19286-37-4
InChIKey JJWYIMQKLTVAGZ-SYCVNHKBSA-N
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