TGY
Summary
| Name: | 1-deoxy-alpha-D-tagatopyranose |
| Synonyms: | 1-deoxy-alpha-D-tagatose 1-deoxy-D-tagatose; 1-deoxy-tagatose |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-deoxy-alpha-D-tagatopyranose |
| OpenEye OEToolkits | 1.9.2 | (2S,3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol |
| PDB-CARE | 1.0 | a-D-1-deoxy-Tagp |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(O)C(O)C(C(O)(C)OC1)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-5,7-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | YLWWLYACYNLGLT-VANKVMQKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[C]1(O)OC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1([C@H]([C@H]([C@@H](CO1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(C(C(C(CO1)O)O)O)O |
