3,4,6-Tri-O-Methyl-D-Glucose

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Properties Simple | Detailed

Formula C9H18O6
IUPAC Name (2r,3r,4r,5r)-2,5-dihydroxy-3,4,6-trimethoxy-hexanal
Molecular Mass 222.236 g·mol−1
Heat of Formation -1048.2 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 272.2 Å 3
Surface Area 239.12 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2,5-dihydroxy-3,4,6-trimethoxy-hexanal
  • (2r,3r,4r,5r)-2,5-dihydroxy-3,4,6-trimethoxyhexanal
  • 3,4,6-tmg
  • 3,4,6-tri-o-methylglucose
  • d-glucose, 3,4,6-tri-o-methyl-, (s)-
CAS Number(s)
  • 34327-07-6
InChIKey OHWRFXMAKSGOGG-JQCXWYLXSA-N
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