Aesculin

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Properties Simple | Detailed

Formula C15H17O9+
IUPAC Name 7-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 341.290 g·mol−1
Heat of Formation -1407.1 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 364.77 Å 3
Surface Area 314.54 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 6-(.beta.-d-glucopyranosyloxy)-7-hydroxy-
  • 6-(.beta.-d-glucopyranosyloxy)-7-hydroxy-2h-1-benzopyran-2-one
  • 7-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 7-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 7-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 7-hydroxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 7-hydroxy-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
  • bcbcmap01_000202
  • bicolorin
  • crataegin
  • enallachrome
  • escosyl
  • esculetin 6-b-d-glucoside
  • esculetin 6-o-glucoside
  • esculin
  • esculine
  • esculoside
  • polychrom
  • polychrome
  • polychrome solution
  • sdccgmls-0066653.p001
  • smp1_000008
  • sr-01000633930-1
  • vitamin c2
CAS Number(s)
  • 531-75-9
InChIKey XHCADAYNFIFUHF-TVKJYDDYSA-N
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