3MF
Summary
| Name: | 3-O-METHYLFRUCTOSE IN LINEAR FORM |
| Formula: | C7 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 194.182 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-O-methyl-D-fructose |
| OpenEye OEToolkits | 1.5.0 | (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-methoxy-hexan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(OC)C(O)C(O)CO)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]([C@H](O)[C@H](O)CO)C(=O)CO |
| SMILES | CACTVS | 3.341 | CO[CH]([CH](O)[CH](O)CO)C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(C(C(CO)O)O)C(=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | OFSVCCCZZQKHKQ-QPPQHZFASA-N |
