EBG
Summary
| Name: | 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside |
| Synonyms: | 2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL 3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE; 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucoside; 2-[(2S)-oxiran-2-yl]ethyl D-glucoside; 2-[(2S)-oxiran-2-yl]ethyl glucoside |
| Formula: | C10 H18 O7 |
| Formal charge: | 0 |
| Formula weight: | 250.246 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(2S)-oxiran-2-yl]ethoxy]oxane-3,4,5-triol |
| PDB-CARE | 1.0 | 3,4-epoxybutyl-a-D-glucopyranoside |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCC1OC1)C2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](OCC[C@H]2CO2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](OCC[CH]2CO2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(O1)CCOC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | RZSIARIQGABJJE-DLXYEPTOSA-N |
