4-[(1E)-3-Hydroxy-1-Buten-1-Yl]-3,5,5-Trimethyl-3-Cyclohexen-1-Yl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C25H42O12
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(1s)-4-[(e,3r)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 534.594 g·mol−1
Heat of Formation -2252.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 639.96 Å 3
Surface Area 517.91 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
InChIKey JZJSTNWTRLNQSL-DJRJFQBASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O