4-[(1E)-3-Hydroxy-1-Buten-1-Yl]-3,5,5-Trimethyl-3-Cyclohexen-1-Yl 6-O-β-D-Glucopyranosyl-β-D-Glucopyranoside
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |