(2R,3R,4R)-2-(3,5-Diformyl-2,4,6-Trihydroxyphenyl)-5,7-Dihydroxy-4-Isobutyl-3-Isopropyl-6,8-Chromanedicarbaldehyde

Molecule SVG Image

Properties Simple | Detailed

Formula C26H22O10
IUPAC Name 2-[(2r,3r)-3-[2-hydroxy-4,6-dioxo-3,5-bis(oxomethylene)cyclohexen-1-yl]-2-isopropyl-5-methyl-hexyl]-4,6-bis(oxomethylene)cyclohexane-1,3,5-trione
Molecular Mass 494.447 g·mol−1
Heat of Formation -1667.8 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 556.61 Å 3
Surface Area 438.87 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-2-(3,5-diformyl-2,4,6-trihydroxy-phenyl)-5,7-dihydroxy-4-isobutyl-3-isopropyl-chroman-6,8-dicarbaldehyde
  • (2r,3r,4r)-2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-(2-methylpropyl)-3-propan-2-ylchroman-6,8-dicarbaldehyde
  • (2r,3r,4r)-2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-isobutyl-3-isopropylchroman-6,8-dicarboxaldehyde
  • (2r,3r,4r)-5,7-dihydroxy-4-(2-methylpropyl)-3-propan-2-yl-2-(2,4,6-trihydroxy-3,5-dimethanoyl-phenyl)chroman-6,8-dicarbaldehyde
InChIKey PHQDMQGEKNBIPF-RAFFTOIBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O