5-Hydroxy-2-(4-Methoxy-2-Oxo-2H-Pyran-6-Yl)-3-Methylphenyl α-L-Idopyranoside

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Properties Simple | Detailed

Formula C19H23O10+
IUPAC Name 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
Molecular Mass 411.380 g·mol−1
Heat of Formation -1662.2 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 453.45 Å 3
Surface Area 369.23 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-methoxy-2-pyranone
  • aloenin
InChIKey KFJNVVJUICKJEQ-ZNLIYNOOSA-N
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