Methyl B-Cellobioside

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Properties Simple | Detailed

Formula C13H24O11
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 356.323 g·mol−1
Heat of Formation -2024.1 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 391.99 Å 3
Surface Area 330.48 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-methoxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • methyl 4-o-beta-d-glucopyranosyl-beta-d-glucopyranoside
  • methyl beta-cellobioside
CAS Number(s)
  • 7216-73-1
InChIKey FHNIYFZSHCGBPP-VJNWNIOVSA-N
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