(17B)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl B-D-Glucopyranosiduronic Acid
Properties
Property | Value |
---|---|
Formula | C24H32O8 |
IUPAC Name | (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[[(8r,9r,13s,14r,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]tetrahydropyran-2-carboxylic acid |
Molecular Mass | 448.506 g·mol−1 |
Heat of Formation | -1491.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.55 ± 1.08 D |
Volume | 522.41 Å 3 |
Surface Area | 414.31 Å 2 |
HOMO Energy | -8.79 ± 0.55 eV |
LUMO Energy | 0.25 ± eV |
Point Group Symmetry | C1 |
InChIKey | MTKNDAQYHASLID-DDQXYBKGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |