Hexakis(trifluoroacetyl)inositol
[4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate
Also Known As: Hexakis-tfa-inositol|Hexakis(trifluoroacetyl)inositol|Hexakis(trifluoroacetyl)myo-inositol|myo-Inositol, hexakis(trifluoroacetate)|[4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate|4,5,6-trihydroxy-1,2,3-tris(trifluoroacetyl)cyclohexane-1,2,3-triyl tris(trifluoroacetate)|Acetic acid, 2,2,2-trifluoro-, 4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-1,2,3-cyclohexanetriyl ester
| Molecular Formula | C18H6F18O12 |
|---|---|
| Molecular Weight | 755.95715 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 9 |
| Exact Mass | 755.95715 |
| Monoisotopic Mass | 755.95715 |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 18686-38-9 |
|---|---|
| SMILES | C1(C(C(C(C(C1O)(C(=O)C(F)(F)F)OC(=O)C(F)(F)F)(C(=O)C(F)(F)F)OC(=O)C(F)(F)F)(C(=O)C(F)(F)F)OC(=O)C(F)(F)F)O)O |
| InChIKey | GJVBHVSAKGDNHE-UHFFFAOYSA-N |
Product Overview
Hexakis(trifluoroacetyl)inositol (CAS 18686-38-9), with molecular formula C18H6F18O12 and molecular weight 755.95715 g/mol. IUPAC: [4,5,6-trihydroxy-1,2,3-tris(2,2,2-trifluoroacetyl)-2,3-bis[(2,2,2-trifluoroacetyl)oxy]cyclohexyl] 2,2,2-trifluoroacetate.