(11α)-3,20-Dioxopregn-4-En-11-Yl Beta-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H38O9 |
| IUPAC Name | (2s,3s,4s,5r,6r)-6-[[(8s,9s,10r,11r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 506.585 g·mol−1 |
| Heat of Formation | -1737.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.30 ± 1.08 D |
| Volume | 595.8 Å 3 |
| Surface Area | 438.95 Å 2 |
| HOMO Energy | -9.61 ± 0.55 eV |
| LUMO Energy | 3.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WVTMNZAPPOMZST-RKCIHFDFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |