Showing Metabocard for 1alpha,2beta,25-trihydroxycholecalciferol (BASm0007618)
| Common Name | 1alpha,2beta,25-trihydroxycholecalciferol |
|---|---|
| Description | A hydroxy seco-steroid that is calciol carrying three additional hydroxy substituents at positions 1alpha, 2beta and 25. |
| Structure | |
| Molecular Formula | C27H44O4 |
| Average Mass | 432.63590 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](O)[C@@H]1O |
| InChI Identifier | InChI=1S/C27H44O4/c1-17(8-6-14-26(3,4)31)21-12-13-22-19(9-7-15-27(21,22)5)10-11-20-16-23(28)25(30)24(29)18(20)2/h10-11,17,21-25,28-31H,2,6-9,12-16H2,1,3-5H3/b19-10+,20-11-/t17-,21-,22+,23-,24-,25-,27-/m1/s1 |
| InChI Key | JGIYYEHLYUOKSD-FQKVRLMOSA-N |
| CHEBI ID | CHEBI:87395 |
| 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 | 0 |
| Polarizability | Not Available |