| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM19046641-1 |
| Product Name | Dibenzylidene D-sorbitol |
| CAS | 19046-64-1 |
| Structure |  |
| Synonyms | 1,3:2,4-Di-O-benzylidenesorbitol |
| IUPAC Name | (1R)-1-[(4R,4aR,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol |
| Molecular Weight | 358.4 |
| Molecular Formula | C20H22O6 |
| Canonical SMILES | C1C2C(C(OC(O2)C3=CC=CC=C3)C(CO)O)OC(O1)C4=CC=CC=C4 |
| InChI | InChI=1S/C20H22O6/c21-11-15(22)17-18-16(24-20(25-17)14-9-5-2-6-10-14)12-23-19(26-18)13-7-3-1-4-8-13/h1-10,15-22H,11-12H2/t15-,16+,17-,18-,19,20/m1/s1 |
| InChIKey | FMZUHGYZWYNSOA-VVBFYGJXSA-N |
| Complexity | 434 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.14163842 |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isomeric SMILES | C1[C@H]2[C@H]([C@H](OC(O2)C3=CC=CC=C3)[C@@H](CO)O)OC(O1)C4=CC=CC=C4 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 358.14163842 |
| Physical State | White powder |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.4 Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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