[(2As,4As,5S,7Bs)-5-(β-D-Glucopyranosyloxy)-1-Oxo-2A,4A,5,7B-Tetrahydro-1H-2,6-Dioxacyclopenta[Cd]Inden-4-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C18H22O11
IUPAC Name [(2as,4as,5s,7bs)-5-(beta-d-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1h-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate
Molecular Mass 414.361 g·mol−1
Heat of Formation -1825.9 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 448.37 Å 3
Surface Area 357.07 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2as-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-d-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1h-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate
  • 1h-2,6-dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(beta-d-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2as-(2aalpha,5alpha,7balpha))-
CAS Number(s)
  • 14259-45-1
InChIKey IBIPGYWNOBGEMH-DILZHRMZSA-N
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