(5α,17Beta)-3-Oxoandrostan-17-Yl Beta-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C25H38O8 |
IUPAC Name | (2s,3s,4s,5r,6r)-6-[[(5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
Molecular Mass | 466.564 g·mol−1 |
Heat of Formation | -1629.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.70 ± 1.08 D |
Volume | 559.77 Å 3 |
Surface Area | 434.8 Å 2 |
HOMO Energy | -9.84 ± 0.55 eV |
LUMO Energy | 3.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | CLQMBSSRTBUNDV-CPKOJWPQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |