Octyl 2-O-α-D-Mannopyranosyl-α-D-Mannopyranoside

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Properties Simple | Detailed

Formula C20H38O11
IUPAC Name (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 454.509 g·mol−1
Heat of Formation -2202.1 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 544.87 Å 3
Surface Area 453.14 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxy-oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-methylol-2-octoxy-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxy-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • octyl 2-o-man-man
  • octyl 2-o-mannopyranosyl-d-mannopyranoside
  • octyl 2-o-mannopyranosylmannopyranoside
CAS Number(s)
  • 157758-68-4
InChIKey PIGYTUUYAIMFHS-YMCKZNNWSA-N
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