Ouabain
Properties
| Property | Value |
|---|---|
| Formula | C29H44O12 |
| IUPAC Name | 3-[(1r,3s,5s,8r,9s,10r,11r,13r,14s,17r)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-furan-5-one |
| Molecular Mass | 584.652 g·mol−1 |
| Heat of Formation | 1214.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.78 ± 1.08 D |
| Volume | 591.41 Å 3 |
| Surface Area | 489.82 Å 2 |
| HOMO Energy | -9.66 ± 0.55 eV |
| LUMO Energy | -2.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LPMXVESGRSUGHW-OMADBVKKSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |