A1J01
Summary
| Name: | (1~{S},2~{R},3~{S},4~{R},6~{R})-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S},2~{R},3~{S},4~{R},6~{R})-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H10O4/c7-2-1-3-6(10-3)5(9)4(2)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.06 | NIYWTJIYWNRVQU-VFUOTHLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@H]2O[C@H]2[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH]2O[CH]2[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C(C(C(C2C1O2)O)O)O |
