OPG
Summary
| Name: | OXIRANPSEUDOGLUCOSE |
| Formula: | C7 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 176.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S,3R,4S,6R)-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
| OpenEye OEToolkits | 1.7.6 | (1R,3S,4R,5S,6S)-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC12OC2CC(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O5/c8-2-7-4(12-7)1-3(9)5(10)6(7)11/h3-6,8-11H,1-2H2/t3-,4+,5+,6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | BDIDRHMZXLEMIZ-CXNFULCWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@]12O[C@@H]1C[C@H](O)[C@@H](O)[C@@H]2O |
| SMILES | CACTVS | 3.370 | OC[C]12O[CH]1C[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C2(C1O2)CO)O)O)O |
