BDF
Summary
| Name: | beta-D-fructopyranose |
| Synonyms: | beta-D-fructose D-fructose; fructose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | beta-D-fructopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| GMML | 1.0 | DFrupb |
| GMML | 1.0 | b-D-fructopyranose |
| PDB-CARE | 1.0 | b-D-Frup |
| GMML | 1.0 | Fru |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)(OCC(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[C]1(O)OC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(O1)(CO)O)O)O)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-ARQDHWQXSA-N |
