XXD
Summary
| Name: | (2S)-pentane-1,2,5-triol |
| Formula: | C5 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 120.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-pentane-1,2,5-triol |
| OpenEye OEToolkits | 1.7.2 | (2S)-pentane-1,2,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCCC(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WEAYWASEBDOLRG-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OCCC[C@H](O)CO |
| SMILES | CACTVS | 3.370 | OCCC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(C[C@@H](CO)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CC(CO)O)CO |
