(3α,5Beta,17Beta)-17-Hydroxyandrostan-3-Yl Beta-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H40O8 |
| IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(3r,5r,8r,9s,10s,13s,14s,17s)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 468.580 g·mol−1 |
| Heat of Formation | -1667.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.14 ± 1.08 D |
| Volume | 567.61 Å 3 |
| Surface Area | 446.8 Å 2 |
| HOMO Energy | -9.98 ± 0.55 eV |
| LUMO Energy | 3.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GYNWSIBKBBWJJW-PAXPDMBVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |