Allyl 3,6-Di-O-Methyl-β-D-Glucopyranosyl-(1->4)-6-Deoxy-2,3-Di-O-Methyl-Alpha-D-Mannopyranosyl-(1->2)-6-Deoxy-3-O-Methyl-Alpha-D-Mannopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C26H46O14
IUPAC Name (2s,3r,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-allyloxy-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-(methoxymethyl)tetrahydropyran-3,5-diol
Molecular Mass 582.635 g·mol−1
Heat of Formation -2423.3 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 706.13 Å 3
Surface Area 547.97 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-2-allyloxy-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-(methoxymethyl)tetrahydropyran-3,5-diol
  • (2s,3r,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxy-oxan-3-yl]oxy-4,5-dimethoxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
  • (2s,3r,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-6-[(2s,3s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-2-prop-2-enoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
  • (2s,3r,4s,5r,6r)-2-[[(2r,3r,4s,5s,6r)-6-[[(2s,3s,4s,5r,6r)-2-allyloxy-5-hydroxy-4-methoxy-6-methyl-3-tetrahydropyranyl]oxy]-4,5-dimethoxy-2-methyl-3-tetrahydropyranyl]oxy]-4-methoxy-6-(methoxymethyl)tetrahydropyran-3,5-diol
  • allyl 2-o-(4-o-(3,6-di-o-methyl-beta-glucopyranosyl)-2,3-di-o-methyl-alpha-rhamnopyranosyl)-3-o-methyl-alpha-rhamnopyranoside
CAS Number(s)
  • 121333-93-5
InChIKey BJVUBCLPWZCCLN-NNOVPTTRSA-N
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