Tacalcitol
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: tacalcitol|Bonalfa|Curatoderm|Tacalcitolum|Alfatacacil|Vellutan|Apsor|Bonalfa-High|Bonalfa (TN)|Tacalcitol (INN)|Tacalcitol (Standard)|TV-02|TV-02H|Tacalcitolum [INN-Latin]|tv02|TACALCITOL [MI]|Tacalcitol [INN:JAN]|1,24-Dihydroxyvitamin D3|PRI 2191|TACALCITOL [INN]|Tacalcitol [INN:BAN:JAN]|TV 02|1-alpha,24(R)-Dihydroxyvitamin D3|1alpha,24(OH)2D3|PRI-2191|TACALCITOL [MART.]|TACALCITOL [WHO-DD]|TV-02HS|1alpha,24(R)-Dihydroxyvitamin D3|1,24-Dihydroxycholecalciferol|1.alpha.,24-dihydroxyvitamin d3|1a,24-Dihydroxycholecalciferol|1alpha,24-Dihydroxycholecalciferol|GTPL2780|1,24(R)-Dihydroxyvitamin D3|Tacalcitol, >=99% (HPLC)|1 alpha,24-dihydroxyvitamin D3
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.32904 g/mol |
| LogP | 5.5606 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Monoisotopic Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 675.59564 |
Chemical Identifiers
| CAS Number | 60965-80-2 |
|---|---|
| SMILES | C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
Product Overview
Tacalcitol (CAS 60965-80-2), with molecular formula C27H44O3 and molecular weight 416.32904 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.