(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 C23H28O13
IUPAC Name [(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxy-benzoate
Molecular Mass 512.461 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
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O