(8Xi,9Xi,14Xi)-3,17-Dioxoandrost-4-En-4-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H34O9 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[[(10r,13s)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 478.532 g·mol−1 |
| Heat of Formation | 1525.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.28 ± 1.08 D |
| Volume | 504.66 Å 3 |
| Surface Area | 434.69 Å 2 |
| HOMO Energy | -8.58 ± 0.55 eV |
| LUMO Energy | -2.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JIKFCHILHFFTSH-LLWFWGFZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |