Octyl 3,6-Di-O-(α-D-Mannopyranosyl)-Beta-D-Mannopyranoside

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Properties Simple | Detailed

Formula C26H20O16
IUPAC Name (2r,3s,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-octoxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Mass 588.427 g·mol−1
Heat of Formation -3168.6 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 712.05 Å 3
Surface Area 540.65 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-octoxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-octoxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-4-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[[(2r,3s,4s,5r,6r)-3,5-dihydroxy-2-octoxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-4-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • beta-d-mannopyranoside, octyl o-alpha-d-mannopyranosyl-(1-3)-o-(alpha-d-mannopyranosyl-(1-6))-
  • octyl 3,6-di-o-(mannopyranosyl)-mannopyranoside
  • odmm
CAS Number(s)
  • 140147-36-0
InChIKey CMQKGONXPQXZKM-OMWWXRLNSA-N
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