TMX
Summary
| Name: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose |
| Synonyms: | 2-deoxy-2-(trimethylammonio)-beta-D-glucose 2-deoxy-2-(trimethylammonio)-D-glucose; 2-deoxy-2-(trimethylammonio)-glucose |
| Formula: | C9 H20 N O5 |
| Formal charge: | 1 |
| Formula weight: | 222.259 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.0 | trimethyl-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1OC(C(O)C(O)C1[N+](C)(C)C)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | C[N+](C)(C)[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | C[N+](C)(C)[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N+](C)(C)[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C[N+](C)(C)C1C(C(C(OC1O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | SYZAECJPHGGBMC-JGKVKWKGSA-N |
