2MJ
Summary
| Name: | (2R,3S)-3-amino-5-methylhexane-1,2-diol |
| Formula: | C7 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 147.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-3-amino-5-methylhexane-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | (2R,3S)-3-azanyl-5-methyl-hexane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(O)C(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H17NO2/c1-5(2)3-6(8)7(10)4-9/h5-7,9-10H,3-4,8H2,1-2H3/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | OMCIQBXZJIKYIY-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H]([C@H](CO)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(CO)O)N |
