DFR
Summary
| Name: | 3-deoxy-3-methyl-beta-D-fructofuranose |
| Synonyms: | 3-DEOXY-3-METHYL-D-FRUCTOSE 3-deoxy-3-methyl-beta-D-fructose; 3-deoxy-3-methyl-fructose |
| Formula: | C7 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 178.183 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-deoxy-3-methyl-beta-D-fructofuranose |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3-methyl-oxolane-2,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC1(O)OC(C(O)C1C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1[C@H](O)[C@@H](CO)O[C@]1(O)CO |
| SMILES | CACTVS | 3.341 | C[CH]1[CH](O)[CH](CO)O[C]1(O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@@H]([C@H](O[C@@]1(CO)O)CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(OC1(CO)O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5/c1-4-6(10)5(2-8)12-7(4,11)3-9/h4-6,8-11H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | DUZROZVFCQUFGS-BNHYGAARSA-N |
