132201-33-3
| Name | N-Benzoyl-(2R,3S)-3-phenylisoserine |
| CAS | 132201-33-3 |
| EINECS(EC#) | 631-348-7 |
| Molecular Formula | C16H15NO4 |
| MDL Number | MFCD00274633 |
| Molecular Weight | 285.29 |
| MOL File | 132201-33-3.mol |
Chemical Properties
| Melting point | 169-172 °C (lit.) |
| Boiling point | 580.7±50.0 °C(Predicted) |
| density | 1.316±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Acetonitrile (Slightly), DMSO (Slightly), Ethanol (Slightly) |
| form | Solid |
| pka | 3.40±0.17(Predicted) |
| color | White to Off-White |
| Optical Rotation | [α]20/D 40°, c = 1.0 in ethanol |
| Major Application | peptide synthesis |
| InChI | 1S/C16H15NO4/c18-14(16(20)21)13(11-7-3-1-4-8-11)17-15(19)12-9-5-2-6-10-12/h1-10,13-14,18H,(H,17,19)(H,20,21)/t13-,14+/m0/s1 |
| InChIKey | HYJVYOWKYPNSTK-UONOGXRCSA-N |
| SMILES | O[C@H]([C@@H](NC(=O)c1ccccc1)c2ccccc2)C(O)=O |
| CAS DataBase Reference | 132201-33-3(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29242990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |