HTH
Summary
| Name: | (2S,3R)-heptane-1,2,3-triol |
| Synonyms: | heptane-1,2,3-triol |
| Formula: | C7 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 148.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S,3R)-heptane-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCC[C@@H](O)[C@@H](O)CO |
| SMILES | CACTVS | 3.352 | CCCC[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCC[C@H]([C@H](CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCC(C(CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | HXYCHJFUBNTKQR-RQJHMYQMSA-N |
