4-O-β-D-Xylo-Hexopyranosyl-3-Ulose-D-Glucose

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Properties Simple | Detailed

Formula C12H20O11
IUPAC Name (2r,3r,4r,5r)-4-[(2s,3s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxo-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
Molecular Mass 340.281 g·mol−1
Heat of Formation -1959.4 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 364.26 Å 3
Surface Area 294.41 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-4-[(2s,3s,5s,6r)-3,5-dihydroxy-4-keto-6-methylol-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
  • (2r,3r,4r,5r)-4-[(2s,3s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxo-oxan-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
  • (2r,3r,4r,5r)-4-[(2s,3s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxo-tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahydroxy-hexanal
  • (2r,3r,4r,5r)-4-[(2s,3s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
  • (2r,3r,4r,5r)-4-[[(2s,3s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxo-2-tetrahydropyranyl]oxy]-2,3,5,6-tetrahydroxyhexanal
  • 4-o-(beta-d-xylo-hexopyranosyl-3-ulose)-d-glucopyranose
  • 4-o-beta-d-xylo-hexopyranos-3-ulos-1-yl-d-glucose
  • d-glucose, 4-o-beta-d-xylo-hexopyranos-3-ulos-1-yl-
CAS Number(s)
  • 105067-89-8
  • 15990-62-2
InChIKey QVZHZVWYFNADIO-BATPLZQESA-N
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