α-D-Glucopyranosyl-(1->4)-α-D-Glucopyranosyl-(1->4)-D-Glucitol

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Properties Simple | Detailed

Formula C18H34O16
IUPAC Name (2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
Molecular Mass 506.453 g·mol−1
Heat of Formation -3045.4 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 550.1 Å 3
Surface Area 423.94 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-methylol-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
  • (2s,3r,4r,5r)-4-[[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]hexane-1,2,3,5,6-pentol
  • glo-(4-1)glc-(4-1)glc
InChIKey XJCCHWKNFMUJFE-CGQAXDJHSA-N
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