M96
Summary
| Name: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| Formula: | C7 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 178.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3-12H,1-2H2/t3-,4+,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | TVKYRGWJELUGNG-BIVRFLNRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1C[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(C1O)O)O)O)CO |
