4-{[(3S,4S)-4-(3,4-Dimethoxybenzyl)-3-Hydroxy-2-Oxotetrahydro-3-Furanyl]Methyl}-2-Methoxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H34O12
IUPAC Name (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one
Molecular Mass 550.552 g·mol−1
Heat of Formation -1929.2 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 625.51 Å 3
Surface Area 525.89 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-4-(3,4-dimethoxybenzyl)-3-hydroxy-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzyl]tetrahydrofuran-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl]oxolan-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]methyl]-2-tetrahydrofuranone
  • 2(3h)-furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-d-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-3-hydroxy-, (3s-cis)-
CAS Number(s)
  • 33464-71-0
InChIKey LWYAMIUSVGPFKS-CGLYQLBNSA-N
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