N-Cyclohexyl-5-O-acetyl-2,4-O-(4-methoxybenzylidene)glucaro-1-amide-6,3-lactone
[4-(cyclohexylcarbamoyl)-2-(4-methoxyphenyl)-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] acetate
Also Known As: C-GAL|[4-(cyclohexylcarbamoyl)-2-(4-methoxyphenyl)-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] acetate|N-Cyclohexyl-5-O-acetyl-2,4-O-(4-methoxybenzylidene)glucaro-1-amide-6,3-lactone|N-Cyclohexyl-5-O-acetyl-2,4-O-(p-methoxybenzylidene)glucaro-1-amide-6,3-lactone|D-Glucar-1-amic acid, N-cyclohexyl-2,4-O-((4-methoxyphenyl)methylene)-, gamma-lactone, 5-acetate
| Molecular Formula | C22H27NO8 |
|---|---|
| Molecular Weight | 433.17368 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.17368 |
| Monoisotopic Mass | 433.17368 |
| Heavy Atoms | 31 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 41111-85-7 |
|---|---|
| SMILES | CC(=O)OC1C2C(C(OC(O2)C3=CC=C(C=C3)OC)C(=O)NC4CCCCC4)OC1=O |
| InChIKey | IMKOFVXQYVDISO-UHFFFAOYSA-N |
Product Overview
N-Cyclohexyl-5-O-acetyl-2,4-O-(4-methoxybenzylidene)glucaro-1-amide-6,3-lactone (CAS 41111-85-7), with molecular formula C22H27NO8 and molecular weight 433.17368 g/mol. IUPAC: [4-(cyclohexylcarbamoyl)-2-(4-methoxyphenyl)-6-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-7-yl] acetate.