(3S)-1,7-Bis(4-Hydroxyphenyl)-5-Oxo-3-Heptanyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C25H32O9
IUPAC Name (5s)-1,7-bis(4-hydroxyphenyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-heptan-3-one
Molecular Mass 476.516 g·mol−1
Heat of Formation -1578.3 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 574.0 Å 3
Surface Area 449.76 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-1,7-bis(4-hydroxyphenyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-heptan-3-one
  • (5s)-1,7-bis(4-hydroxyphenyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-heptan-3-one
  • (5s)-1,7-bis(4-hydroxyphenyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-heptan-3-one
  • (5s)-1,7-bis(4-hydroxyphenyl)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]heptan-3-one
InChIKey PVPDIJGSCANSAG-JSFAVJLPSA-N
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