1,23,25-Trihydroxyvitamin D3
trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-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: 1,23,25-Trihydroxyvitamin D3|1,23,25-Trihydroxycholecalciferol|(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol|9,10-Secocholesta-5,7,10(19)-triene-1,3,23,25-tetrol, (1alpha,3beta,5Z,7E,23S)-
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32397 g/mol |
| LogP | 4.6755 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.32397 |
| Monoisotopic Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 715.2383 |
Chemical Identifiers
| CAS Number | 86701-33-9 |
|---|---|
| SMILES | C[C@H](C[C@@H](CC(C)(C)O)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
1,23,25-Trihydroxyvitamin D3 (CAS 86701-33-9), with molecular formula C27H44O4 and molecular weight 432.32397 g/mol. IUPAC: trans-(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
1,23,25-Trihydroxyvitamin D3 is a custom synthesis product. We offer services from milligram to kilogram scale.
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