EPG
Summary
| Name: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside |
| Synonyms: | 2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL 2,3-EPOXYPROPYL-ALPHA-D-GLUCOPYRANOSIDE; (2R)-oxiran-2-ylmethyl alpha-D-glucoside; (2R)-oxiran-2-ylmethyl D-glucoside; (2R)-oxiran-2-ylmethyl glucoside |
| Formula: | C9 H16 O7 |
| Formal charge: | 0 |
| Formula weight: | 236.219 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R)-oxiran-2-yl]methoxy]oxane-3,4,5-triol |
| PDB-CARE | 1.0 | 2,3-epoxypropyl-a-D-glucopyranoside |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CC1OC1)C2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](OC[C@H]2CO2)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](OC[CH]2CO2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](O1)CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(O1)COC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | NXJZWOCFSMYDAS-NZJLWHDDSA-N |
