Vicine

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Properties Simple | Detailed

Formula C10H17N4O7+
IUPAC Name 2,6-diamino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pyrimidin-1-ium-3-id-4-one
Molecular Mass 305.265 g·mol−1
Heat of Formation -1111.7 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 322.27 Å 3
Surface Area 283.94 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-diamino-5-(beta-d-glucopyranosyloxy)-(1h)-pyrimidin-4-one
  • 2,6-diamino-5-(beta-d-glucopyranosyloxy)-4(1h)-pyrimidinone
  • 2,6-diamino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1h-pyrimidin-4-one
  • 2,6-diamino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1h-pyrimidin-4-one
  • 2,6-diamino-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1h-pyrimidin-4-one
  • 2,6-diamino-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2,6-diamino-5-(beta-d-glucopyranosyloxy)- (9ci)
  • divicine, 5-beta-d-glucopyranoside (van)
  • glucopyranoside, divicine-5, beta-d-
  • vicine (van) (8ci)
  • vicioside
CAS Number(s)
  • 152-93-2
InChIKey KGNGTSCIQCLKEH-SYCVNHKBSA-N
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