T6T
Summary
| Name: | alpha-D-tagatopyranose |
| Synonyms: | alpha-D-tagatose D-tagatose; tagatose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | alpha-D-tagatopyranose |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| GMML | 1.0 | DTagpa |
| GMML | 1.0 | a-D-tagatopyranose |
| PDB-CARE | 1.0 | a-D-Tagp |
| GMML | 1.0 | Tag |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OCC(C1O)O)(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | LKDRXBCSQODPBY-VANKVMQKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(O)OC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(O1)(CO)O)O)O)O |
