4-O-β-D-Glucopyranosyl-D-Glucitol

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Properties Simple | Detailed

Formula C12H24O11
IUPAC Name (2s,3r,4r,5r)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
Molecular Mass 344.312 g·mol−1
Heat of Formation -2108.1 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 382.73 Å 3
Surface Area 316.3 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol
  • cellobiotol
  • d-glucitol, 4-o-beta-d-glucopyranosyl-
  • glc-(1-4)glo
  • sdccgmls-0066809.p001
CAS Number(s)
  • 535-94-4
InChIKey VQHSOMBJVWLPSR-WELRSGGNSA-N
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