(7β,8Xi,9Xi,12β,14Xi)-7,12,25-Trihydroxycholestan-3-Yl β-D-Allopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C33H56O10 |
IUPAC Name | (2s,3s,4r,5r,6r)-6-[[(3s,5r,7s,8s,9r,10s,12r,13r,14r,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 | -2231.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.16 ± 1.08 D |
Volume | 761.87 Å 3 |
Surface Area | 587.41 Å 2 |
HOMO Energy | -10.09 ± 0.55 eV |
LUMO Energy | 0.24 ± eV |
Point Group Symmetry | C1 |
InChIKey | FHOADKVSESICIH-DGXDZLFESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |