Iliparcil

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Formula C16H18O6S
IUPAC Name 4-ethyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-chromen-2-one
Molecular Mass 338.376 g·mol−1
Heat of Formation -938.3 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 373.35 Å 3
Surface Area 322.91 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ethyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-chromen-2-one
  • 4-ethyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxytetrahydrothiopyran-2-yl]oxy-coumarin
  • 4-ethyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxythian-2-yl]oxy-chromen-2-one
  • 4-ethyl-7-[(2r,3r,4s,5s)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
  • 4-ethyl-7-[[(2r,3r,4s,5s)-3,4,5-trihydroxy-2-tetrahydrothiopyranyl]oxy]-2-chromenone
CAS Number(s)
  • 137214-72-3
InChIKey AJPYMAXBUCUFLQ-MSQAHXEGSA-N
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