TGJ
Summary
| Name: | 1-deoxy-L-tagatose |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-deoxy-L-tagatose |
| OpenEye OEToolkits | 1.9.2 | (3R,4R,5S)-3,4,5,6-tetrakis(oxidanyl)hexan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C(C(O)C(CO)O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | IXDZFGATLNCIOI-HCWXCVPCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@H](O)[C@H](O)[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)C(C(C(CO)O)O)O |
