XPS
Summary
| Name: | 6-deoxy-6-(methylamino)-D-galactitol |
| Formula: | C7 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 195.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-deoxy-6-(methylamino)-D-galactitol |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S},5~{R})-6-(methylamino)hexane-1,2,3,4,5-pentol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)CO)(C(C(O)CNC)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | MBBZMMPHUWSWHV-JRTVQGFMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CNC[CH](O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC(C(C(C(CO)O)O)O)O |
