Showing Metabocard for 2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronate) (BASm0008859)
| Common Name | 2-hydroxy-17beta-estradiol 3-o-(beta-d-glucuronate) |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C24H32O9 |
| Average Mass | 464.51100 |
| Monoisotopic Mass | 464.20463 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@]12CC[C@@H]3c4cc(O)c(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O |
| InChI Identifier | InChI=1S/C24H32O9/c1-24-7-6-11-12(14(24)4-5-17(24)26)3-2-10-8-16(15(25)9-13(10)11)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8-9,11-12,14,17-21,23,25-29H,2-7H2,1H3,(H,30,31)/t11?,12?,14?,17?,18?,19?,20?,21?,23?,24-/m0/s1 |
| InChI Key | JHQREQGUZKWDML-HFVZODMLSA-N |
| CHEBI ID | CHEBI:136931 |
| HMDB ID | HMDB0155495 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |