(1As,1Bs,2S,5Ar,6S,6As)-2-(β-D-Glucopyranosyloxy)-1A-(Hydroxymethyl)-1A,1B,2,5A,6,6A-Hexahydrooxireno[4,5]Cyclopenta[1,2-C]Pyran-6-Yl 4-Hydroxy-3-Methoxybenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H10O13
IUPAC Name (6r)-2-(oxomethylene)-6-[[5-oxo-8-(oxomethylene)-4ah-pyrano[3,4-c]pyran-1-yl]oxy]tetrahydropyran-3,4,5-trione; 4-(oxomethylene)tetrahydrofuran-2-one
Molecular Mass 458.286 g·mol−1
Heat of Formation -2018.1 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 558.5 Å 3
Surface Area 468.54 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • megxp0_001244
InChIKey AKNILCMFRRDTEY-NUGKWEEESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O