B-Morroniside
Properties
| Property | Value |
|---|---|
| Formula | C17H26O11 |
| IUPAC Name | methyl (1s,3s,4ar,8r,8ar)-3-hydroxy-1-methyl-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate |
| Molecular Mass | 406.382 g·mol−1 |
| Heat of Formation | -2011.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.97 ± 1.08 D |
| Volume | 443.32 Å 3 |
| Surface Area | 349.86 Å 2 |
| HOMO Energy | -9.69 ± 0.55 eV |
| LUMO Energy | -0.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YTZSBJLNMIQROD-RFQGWHNZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |