2-(1-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Yl)Ethyl β-L-Glucopyranoside

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Properties Simple | Detailed

Formula C14H20O8
IUPAC Name 4-hydroxy-4-[2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one
Molecular Mass 316.304 g·mol−1
Heat of Formation -1308.7 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 360.2 Å 3
Surface Area 316.21 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-4-[2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one
  • 4-hydroxy-4-[2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]cyclohexa-2,5-dien-1-one
  • 4-hydroxy-4-[2-[[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]ethyl]-1-cyclohexa-2,5-dienone
  • cornoside
CAS Number(s)
  • 40661-45-8
InChIKey VTVARPTUBCBNJX-WJTVCTBASA-N
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