6-O-α-D-Glucopyranosyl-D-Gluconic Acid

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Properties Simple | Detailed

Formula C12H22O12
IUPAC Name (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(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 -2303.0 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 386.28 Å 3
Surface Area 298.23 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexanoic acid
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoic acid
  • (2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexanoic acid
  • gluconic acid, 6-o-alpha-d-glucopyranosyl-, d-
  • isomaltobionic acid
  • isomaltohexaonic acid
  • isomaltohexonic acid
  • isomaltonic acid
CAS Number(s)
  • 534-74-7
InChIKey MUUBPEHTAPZMCA-NFXSTIHLSA-N
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