2-O-Sulfo-α-D-Glucopyranosyl α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H22O14S
IUPAC Name [(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 422.360 g·mol−1
Heat of Formation -2606.2 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 417.74 Å 3
Surface Area 335.7 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-methylol-2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] hydrogen sulfate
InChIKey WVFKPISWLUJJIJ-LIZSDCNHSA-N
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