1SP
Summary
| Name: | (2S)-pentane-1,2-diol |
| Formula: | C5 H12 O2 |
| Formal charge: | 0 |
| Formula weight: | 104.148 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-pentane-1,2-diol |
| OpenEye OEToolkits | 1.6.1 | (2S)-pentane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(O)CCC |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC[C@H](O)CO |
| SMILES | CACTVS | 3.352 | CCC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCCC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WCVRQHFDJLLWFE-YFKPBYRVSA-N |
