(3β)-Cholest-5-En-3-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C33H54O7 |
| IUPAC Name | (2s,3s,4s,5r,6r)-6-[[(3s,8r,9r,10r,13r,14r,17s)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 562.778 g·mol−1 |
| Heat of Formation | 3562.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 16.31 ± 1.08 D |
| Volume | 539.53 Å 3 |
| Surface Area | 477.55 Å 2 |
| HOMO Energy | -8.48 ± 0.55 eV |
| LUMO Energy | -2.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IJLBJBCDNYOWPJ-ZCNTWTTGSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |