OVU
Summary
| Name: | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid |
| Formula: | C7 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 190.151 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H10O6/c8-2-1-7(12,6(10)11)5-4(13-5)3(2)9/h2-5,8-9,12H,1H2,(H,10,11)/t2-,3+,4+,5+,7-/m1/s1 |
| InChIKey | InChI | 1.06 | ASWQMJLBZXDZCM-WPCLBDJUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@@](O)([C@H]2O[C@H]2[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[C](O)([CH]2O[CH]2[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1[C@H]([C@@H]([C@H]2[C@@H]([C@]1(C(=O)O)O)O2)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C(C(C2C(C1(C(=O)O)O)O2)O)O |
