AFD
Summary
| Name: | alpha-D-allopyranose |
| Synonyms: | alpha-D-allose D-allose; allose |
| 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-allopyranose |
| OpenEye OEToolkits | 1.7.6 | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| GMML | 1.0 | DAllpa |
| GMML | 1.0 | a-D-allopyranose |
| PDB-CARE | 1.0 | a-D-Allp |
| GMML | 1.0 | All |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(O)OC(C(C(C1O)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | WQZGKKKJIJFFOK-UKFBFLRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(C(O1)O)O)O)O)O |
