2,4,6-Trichloro-3-Methoxy-5-Methylphenyl 6-O-β-D-Xylopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H25Cl3O11
IUPAC Name (2s,3r,4s,5s,6r)-2-(2,4,6-trichloro-3-methoxy-5-methyl-phenoxy)-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
Molecular Mass 535.754 g·mol−1
Heat of Formation -1180.4 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 538.44 Å 3
Surface Area 388.11 Å 2
HOMO Energy -7.38 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-(2,4,6-trichloro-3-methoxy-5-methyl-phenoxy)-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(2,4,6-trichloro-3-methoxy-5-methyl-phenoxy)-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxymethyl]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(2,4,6-trichloro-3-methoxy-5-methylphenoxy)-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
  • 2,4,6-trichloro-3-methyl-5-methoxyphenol-o-beta-d-xylopyranosyl(1-6)-beta-d-glucopyranoside
  • beta-d-glucopyranoside, 2,4,6-trichloro-3-methoxy-5-methylphenyl 6-o-beta-d-xylopyranosyl-
  • beta-d-glucopyranoside, 2,4,6-trichloro-3-methoxy-5-methylphenyl-6-o-beta-d-xylopyranosyl-
  • curculigin c
  • curculigine c
CAS Number(s)
  • 143601-11-0
InChIKey KGGBAMINDPCFIK-CWADMIAUSA-N
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