8LR
Summary
| Name: | 2-hydroxyethyl alpha-D-mannopyranoside |
| Synonyms: | 2-hydroxyethyl alpha-D-mannoside 2-hydroxyethyl D-mannoside; 2-hydroxyethyl mannoside |
| Formula: | C8 H16 O7 |
| Formal charge: | 0 |
| Formula weight: | 224.208 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxyethyl alpha-D-mannopyranoside |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4S,5S,6R)-2-(2-hydroxyethyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CCO)C1OC(C(O)C(O)C1O)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | SMORULFPMBCEPX-HEIBUPTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(COC1C(C(C(C(O1)CO)O)O)O)O |
