1-C-[(8Xi,9Xi,11α,14Xi,20S)-11,17,20,21-Tetrahydroxypregnan-3-Yl]-Beta-D-Allopyranuronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H44O11 |
| IUPAC Name | (2s,3s,4r,5r,6r)-6-[(3s,5r,8r,9r,10s,11r,13s,14r,17r)-17-[(1s)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3,4,5,6-tetrahydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 544.632 g·mol−1 |
| Heat of Formation | -2330.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.55 ± 1.08 D |
| Volume | 624.69 Å 3 |
| Surface Area | 466.4 Å 2 |
| HOMO Energy | -9.94 ± 0.55 eV |
| LUMO Energy | 0.40 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LUNTZWDPLVTVKX-FJKOSLKXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |