Enterodiol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H22O4
IUPAC Name (2r,3r)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
Molecular Mass 302.365 g·mol−1
Heat of Formation -654.0 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 379.63 Å 3
Surface Area 327.62 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-enterodiol
  • (2r,3r)-2,3-bis(3-hydroxybenzyl)butane-1,4-diol
  • (2r,3r)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
  • 1,4-butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (2r,3r)-
  • 1,4-butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (r-(r*,r*))-
  • arbo 9
CAS Number(s)
  • 80226-00-2
  • 81495-77-4
InChIKey DWONJCNDULPHLV-HOTGVXAUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O