(3β)-Cholest-5-En-3-Yl β-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C33H54O7 |
IUPAC Name | (2s,3s,4s,5r,6r)-6-[[(3s,8s,9s,10r,13r,14s,17r)-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 | -1580.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.62 ± 1.08 D |
Volume | 725.82 Å 3 |
Surface Area | 571.69 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | 3.33 ± eV |
Point Group Symmetry | C1 |
InChIKey | IJLBJBCDNYOWPJ-MVMUGOIMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |