(1S)-4-O-β-D-Allopyranosyl-1,5-Anhydro-1-[5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-4-Oxo-4H-Chromen-6-Yl]-D-Allitol
Properties
| Property | Value |
|---|---|
| Formula | C28H32O15 |
| IUPAC Name | 6-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one |
| Molecular Mass | 608.545 g·mol−1 |
| Heat of Formation | -2455.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.53 ± 1.08 D |
| Volume | 648.94 Å 3 |
| Surface Area | 541.11 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LTSHFAAMUZRJGB-MFXMLHHTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |