6-(2-Hydroxyethyl)-2,2,5,7-Tetramethyl-1-Oxo-2,3-Dihydro-1H-Inden-4-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H30O8
IUPAC Name 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indan-1-one
Molecular Mass 410.458 g·mol−1
Heat of Formation -1490.9 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 488.91 Å 3
Surface Area 400.94 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-inden-1-one, 4-(beta-d-glucopyranosyloxy)-2,3-dihydro-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-
  • 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3h-inden-1-one
  • 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indan-1-one
  • 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-indan-1-one
  • 6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1-indanone
  • onitinoside
CAS Number(s)
  • 78415-48-2
InChIKey CLZGEWQFWIBQEP-RGCXKDKSSA-N
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