04B
Summary
| Name: | 2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-D-xylitol |
| Formula: | C12 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-1,2,4-trideoxy-4-methyl-1-phenyl-D-xylitol |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4S)-4-azanyl-2-methyl-5-phenyl-pentane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(C)C(O)C(N)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO2/c1-9(8-14)12(15)11(13)7-10-5-3-2-4-6-10/h2-6,9,11-12,14-15H,7-8,13H2,1H3/t9-,11+,12+/m1/s1 |
| InChIKey | InChI | 1.03 | QCUSFENRXRYWFV-USWWRNFRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CO)[C@H](O)[C@@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.370 | C[CH](CO)[CH](O)[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CO)[C@@H]([C@H](Cc1ccccc1)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CO)C(C(Cc1ccccc1)N)O |
