2-Methoxy-17-Oxoestra-1,3,5(10)-Trien-3-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H32O9 |
| IUPAC Name | (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[(8s,9s,13s,14s)-2-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 476.516 g·mol−1 |
| Heat of Formation | -1564.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.68 ± 1.08 D |
| Volume | 544.1 Å 3 |
| Surface Area | 438.8 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | 2.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NZTHZDNDYACBSX-HKLVOKKOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |