(17β)-3-Oxoandrost-4-En-17-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H36O8 |
| IUPAC Name | (2r,3s,4r,5r,6r)-6-[[(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 464.549 g·mol−1 |
| Heat of Formation | -1576.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.87 ± 1.08 D |
| Volume | 549.1 Å 3 |
| Surface Area | 422.2 Å 2 |
| HOMO Energy | -9.84 ± 0.55 eV |
| LUMO Energy | 2.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NIKZPECGCSUSBV-ORFMXDGYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |