YZ0
Summary
| Name: | methyl beta-D-mannopyranoside |
| Formula: | C7 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 194.182 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl beta-D-mannopyranoside |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(O)C(OC1OC)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | HOVAGTYPODGVJG-ULQPCXBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC1C(C(C(C(O1)CO)O)O)O |
