HuagongsheHuagongshe Chemistry Print Report · For research reference only
(R)-N-((S)-(3,5-di-tert-butyl-4-methoxyphenyl)(2-(diphenyl phosphanyl)phenyl)methyl)-2-methylpropane-2-sulfinamide
(R)-N-((S)-(3,5-di-tert-butyl-4-methoxyphenyl)(2-(diphenyl phosphanyl)phenyl)methyl)-2-methylpropane-2-sulfinamide · [S(R)]-N-[(S)-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl][2-(diphenylphosphino)phenyl]methyl]-2-methyl-2-propanesulfinamide · 2-Propanesulfinamide, N-[(S)-[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl][2-(diphenylphosphino)phenyl]methyl]-2-methyl-, [S(R)]-

Identifiers & Physical Properties
| CAS No. | 1616688-63-1 |
|---|---|
| Molecular formula | C38H48NO2PS |
| Average molar mass | 613.8 g/mol |
| SMILES | COc1c(C(C)(C)C)cc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1C(C)(C)C |
| InChIKey | JIJHYOCKCFKMDP-PSBPOGMQSA-N |
Chemical & Physical Properties
| XLogP | 9.9 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 11 |
| Heavy atoms | 43 |
| Formal charge | 0 |
| Complexity | 834 |
| Boiling point | 678.8±65.0 °C(Predicted) |
| pKa (acidity coefficient) | 10.45±0.70(Predicted) |