β-D-Glucopyranosyl Retinoate

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Properties Simple | Detailed

Formula C26H36O7
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[[4-[(3e,5e)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienylidene]-2-furyl]oxy]tetrahydropyran-3,4,5-triol
Molecular Mass 460.560 g·mol−1
Heat of Formation -1241.8 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 586.69 Å 3
Surface Area 504.02 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoate
InChIKey KIJSHPGTCADRKQ-IZIZVJMPSA-N
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