(3α,5Beta,7α,12α)-7,12,25-Trihydroxycholestan-3-Yl Beta-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C33H56O10 |
| IUPAC Name | (2s,3s,4s,5r,6r)-6-[[(3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-7,12-dihydroxy-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-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]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 612.792 g·mol−1 |
| Heat of Formation | -2222.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.38 ± 1.08 D |
| Volume | 762.62 Å 3 |
| Surface Area | 587.19 Å 2 |
| HOMO Energy | -9.91 ± 0.55 eV |
| LUMO Energy | 0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FHOADKVSESICIH-MXSWZLSHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |