4-[(5R,5Ar,8Ar,9S)-9-({4,6-O-[(1R)-Ethylidene]-β-D-Glucopyranosyl}Oxy)-6-Oxo-5,5A,6,8,8A,9-Hexahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-5-Yl]-2,6-Dimethoxyphenyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C29H33O16P |
| IUPAC Name | [4-[(5s,5as,8ar,9r)-5-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenyl] dihydrogen phosphate |
| Molecular Mass | 668.536 g·mol−1 |
| Heat of Formation | -2824.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.25 ± 1.08 D |
| Volume | 709.24 Å 3 |
| Surface Area | 529.68 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -0.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LIQODXNTTZAGID-CBINWGERSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O H |