(2S,3S)-2-(3,4-Dihydroxy-5-Methoxyphenyl)-3-(Hydroxymethyl)-2,3-Dihydro-7H-[1,4]Dioxino[2,3-G]Chromen-7-One

Molecule SVG Image

Properties Simple | Detailed

Formula C19H17O8+
IUPAC Name (2s,3s)-2-(3,4-dihydroxy-5-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
Molecular Mass 373.333 g·mol−1
Heat of Formation -1039.5 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 399.33 Å 3
Surface Area 355.71 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-(3,4-dihydroxy-5-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[6,5-g][1,4]benzodioxin-7-one
  • (2s,3s)-2-(3,4-dihydroxy-5-methoxy-phenyl)-3-methylol-2,3-dihydropyrano[6,5-g][1,4]benzodioxin-7-one
  • (2s,3s)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[6,5-g][1,4]benzodioxin-7-one
  • grewin
InChIKey VGZRCMZZGCYWKJ-LPHOPBHVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O