3HD
Summary
| Name: | 1,5-anhydro-3-O-methyl-D-mannitol |
| Synonyms: | 3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL |
| Formula: | C7 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 178.183 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,5-anhydro-3-O-methyl-D-mannitol |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-oxane-3,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(C)C1C(O)C(OCC1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1[C@H](O)CO[C@H](CO)[C@H]1O |
| SMILES | CACTVS | 3.341 | CO[CH]1[CH](O)CO[CH](CO)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1C(COC(C1O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | GWYGLRYBQUSWAT-DBRKOABJSA-N |
