Aucubin

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Formula C15H22O9
IUPAC Name (2s,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 346.330 g·mol−1
Heat of Formation -1511.0 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 387.12 Å 3
Surface Area 323.49 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-d-glucopyranoside
  • (2s,3r,4s,5s,6r)-2-((1s,4ar,5r,7as)-5-hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • 1,4a,5,7a-tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-d-glucopyranoside
  • acon1_002452
  • lmpr01020107
  • megxp0_001729
CAS Number(s)
  • 479-98-1
InChIKey RJWJHRPNHPHBRN-FKVJWERZSA-N
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