U90
Summary
| Name: | 3-O-methyl-alpha-D-mannopyranose |
| Formula: | C7 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 194.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-O-methyl-alpha-D-mannopyranose |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC)C(O)C(CO)OC1O |
| InChI | InChI | 1.06 | InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1 |
| InChIKey | InChI | 1.06 | SCBBSJMAPKXHAH-VEIUFWFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]1[C@@H]([C@H](O[C@@H]([C@H]1O)O)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(OC(C1O)O)CO)O |
