(2S)-5-Hydroxy-2-(4-Methoxyphenyl)-6,8-Dimethyl-4-Oxo-3,4-Dihydro-2H-Chromen-7-Yl 6-O-(4-Carboxy-3-Hydroxy-3-Methylbutanoyl)-β-D-Threo-Hexopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C30H36O14 |
| IUPAC Name | (3r)-3-hydroxy-3-methyl-5-oxo-5-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chroman-7-yl]oxy-tetrahydropyran-2-yl]methoxy]pentanoic acid |
| Molecular Mass | 620.598 g·mol−1 |
| Heat of Formation | -2516.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.33 ± 1.08 D |
| Volume | 700.84 Å 3 |
| Surface Area | 499.11 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -0.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SMLRKPPCBXFZQW-LQBPHNMKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |