4-(β-D-Glucopyranosyloxy)-2-Hydroxy-6-[(E)-2-Phenylvinyl]Benzoic Acid

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Properties Simple | Detailed

Formula C21H22O9
IUPAC Name 2-hydroxy-6-[(e)-styryl]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid
Molecular Mass 418.394 g·mol−1
Heat of Formation -1423.7 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 467.81 Å 3
Surface Area 397.44 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-6-[(e)-2-phenylethenyl]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzoic acid
  • 2-hydroxy-6-[(e)-2-phenylethenyl]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
  • 2-hydroxy-6-[(e)-2-phenylvinyl]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoic acid
  • 2-hydroxy-6-[(e)-2-phenylvinyl]-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoic acid
  • 2-hydroxy-6-[(e)-2-phenylvinyl]-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzoic acid
  • 5-(beta-d-glucosyloxy)-3-hydroxy-trans-stilbene-2-carboxylic acid
  • gaylussacin
CAS Number(s)
  • 38232-08-5
InChIKey UPCRMPLOWXXPFK-BNVRZUOOSA-N
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