Methyl (1R,2R)-1,2,8-Trihydroxy-9-Oxo-2,9-Dihydro-1H-Xanthene-1-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H13O7+
IUPAC Name methyl (1r,2r)-1,2,8-trihydroxy-9-oxo-2h-xanthene-1-carboxylate
Molecular Mass 305.260 g·mol−1
Heat of Formation -978.8 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 317.75 Å 3
Surface Area 280.11 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-1,2,8-trihydroxy-9-keto-2h-xanthene-1-carboxylic acid methyl ester
  • (1r,2r)-1,2,8-trihydroxy-9-oxo-2h-xanthene-1-carboxylic acid methyl ester
InChIKey HEFOWMGZUBJFBY-BMIGLBTASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O