4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-Mannopyranosyl}-β-D-Glucopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C15H22O14 |
| IUPAC Name | (2s,4ar,6s,7s,8r,8as)-6-[(2s,3s,4r,5r,6r)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
| Molecular Mass | 426.327 g·mol−1 |
| Heat of Formation | -2498.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.92 ± 1.08 D |
| Volume | 440.24 Å 3 |
| Surface Area | 366.81 Å 2 |
| HOMO Energy | -10.24 ± 0.55 eV |
| LUMO Energy | -0.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GZJXZKGVHLWBOW-RJABHKQUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |