Methylarbutoside

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Properties Simple | Detailed

Formula C13H18O7
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol
Molecular Mass 286.278 g·mol−1
Heat of Formation -1148.3 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 325.35 Å 3
Surface Area 290.52 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(4-methoxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • 4-methoxyphenylglucoside
  • beta-d-glucopyranoside, 4-methoxyphenyl
  • methylarbutin
  • p-methoxyphenyl beta-d-glucopyranoside
CAS Number(s)
  • 12167-34-9
  • 6032-32-2
InChIKey SIXFVXJMCGPTRB-UJPOAAIJSA-N
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