2-[(1S,2S)-1-Hydroxy-4-(Hydroxymethyl)-2,6-Dimethyl-3-Oxo-2,3-Dihydro-1H-Inden-5-Yl]Ethyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H28O9
IUPAC Name (2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]indan-1-one
Molecular Mass 412.431 g·mol−1
Heat of Formation -1619.4 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 477.6 Å 3
Surface Area 408.6 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-3-hydroxy-2,5-dimethyl-7-methylol-6-[2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]indan-1-one
  • (2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
  • (2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]indan-1-one
  • (2s,3s)-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-6-[2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-1-indanone
  • 1h-inden-1-one, 6-(2-(beta-d-glucopyranosyloxy)ethyl)-2,3-dihydro-3-hydroxy-7-(hydroxymethyl)-2,5-dimethyl-, (2s-trans)-
  • pterosides
CAS Number(s)
  • 62043-50-9
InChIKey QUCQWGWEDCGWFJ-NLKQLHMRSA-N
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