PJ5
Summary
| Name: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol |
| Formula: | C6 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12O4/c7-2-3-1-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | PHKHGSSZAJVEQK-BXKVDMCESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1C[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C1O)O)O)CO |
