4-O-β-D-Glucopyranosyl-D-Gluconic Acid

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Properties Simple | Detailed

Formula C12H22O12
IUPAC Name (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
Molecular Mass 358.296 g·mol−1
Heat of Formation -2290.3 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 391.59 Å 3
Surface Area 322.17 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexanoic acid
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoic acid
  • (2r,3r,4r,5r)-2,3,5,6-tetrahydroxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanoic acid
  • 4-o-beta-d-glucopyranosyl d-gluconic acid
  • cellobionic acid
  • d-gluconic acid, 4-o-beta-d-glucopyranosyl-
  • gluconic acid, 4-o-beta-d-gluconic acid
  • maltobionate
  • maltobionic acid
CAS Number(s)
  • 21675-39-8
  • 534-41-8
InChIKey JYTUSYBCFIZPBE-ZNLUKOTNSA-N
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